1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane

C208H429N23O3 — CID 157473150

IUPAC1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCNC1.CC(C)(C)N1CCNC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1
InChIInChI=1S/C10H19NO.C10H20.C10H14.2C9H13N.C9H19N.C9H13N.C9H18.C8H18N2.2C8H12N2.C8H18N2.2C8H12N2.C8H17NO.C8H17N.C8H16.C7H16N2.C7H15NO.C7H15N.20C2H6/c1-10(2,3)9(12)11-7-5-4-6-8-11;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)10-6-4-5-9-7-10;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)8-4-5-9-6-8;1-7(2,3)8-5-4-6-8;20*1-2/h4-8H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;2*4-6H,1-3H3;9H,4-7H2,1-3H3;2*4-6H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;7H,4-6H2,1-3H3;8H,4-6H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3;20*1-2H3
InChIKeyBVGVETWCFFLJAQ-UHFFFAOYSA-N
MW3300.88 g/mol
LogP59.66
Rot. Bonds

About 1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane

1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane (PubChem CID 157473150) has the molecular formula C208H429N23O3 and a molecular weight of 3300.88 g/mol. Its IUPAC name is 1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane.

Molecular Properties

Compound Name1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane
PubChem CID157473150
Molecular FormulaC208H429N23O3
Molecular Weight3300.88 g/mol
Exact Mass3298.41
IUPAC Name1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCNC1.CC(C)(C)N1CCNC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1
InChIInChI=1S/C10H19NO.C10H20.C10H14.2C9H13N.C9H19N.C9H13N.C9H18.C8H18N2.2C8H12N2.C8H18N2.2C8H12N2.C8H17NO.C8H17N.C8H16.C7H16N2.C7H15NO.C7H15N.20C2H6/c1-10(2,3)9(12)11-7-5-4-6-8-11;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)10-6-4-5-9-7-10;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)8-4-5-9-6-8;1-7(2,3)8-5-4-6-8;20*1-2/h4-8H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;2*4-6H,1-3H3;9H,4-7H2,1-3H3;2*4-6H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;7H,4-6H2,1-3H3;8H,4-6H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3;20*1-2H3
InChIKeyBVGVETWCFFLJAQ-UHFFFAOYSA-N
XLogP59.66
TPSA242.57 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003300.88
LogP ≤ 559.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane?
The IUPAC name of 1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane (CID 157473150) is 1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane.
What is the SMILES notation for 1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane?
The canonical SMILES for 1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C(=O)N1CCCCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCC1.CC(C)(C)C1CCCCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCNC1.CC(C)(C)N1CCNC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1.
What is the InChIKey of 1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane?
The InChIKey is BVGVETWCFFLJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C10H20.C10H14.2C9H13N.C9H19N.C9H13N.C9H18.C8H18N2.2C8H12N2.C8H18N2.2C8H12N2.C8H17NO.C8H17N.C8H16.C7H16N2.C7H15NO.C7H15N.20C2H6/c1-10(2,3)9(12)11-7-5-4-6-8-11;2*1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-6-4-5-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)10-6-4-5-9-7-10;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-7;1-7(2,3)9-5-4-8-6-9;1-7(2,3)8-4-5-9-6-8;1-7(2,3)8-5-4-6-8;20*1-2/h4-8H2,1-3H3;9H,4-8H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3;4-8H2,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;9H,4-7H2,1-3H3;2*4-6H,1-3H3;9H,4-7H2,1-3H3;2*4-6H,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;7H,4-6H2,1-3H3;8H,4-6H2,1-3H3;4-6H2,1-3H3;4-6H2,1-3H3;20*1-2H3.
What are the key properties of 1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane?
1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane has a molecular weight of 3300.88 g/mol, XLogP of 59.66, 0 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane is sourced from PubChem (CID 157473150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).