1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane

C43H97N3 — CID 159819553

IUPAC1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
SMILESCC.CC.CC.CC.CC(C)(C)C1CCCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1
InChIInChI=1S/C10H21N.C9H19N.C9H18.C7H15N.4C2H6/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-8;1-7(2,3)8-5-4-6-8;4*1-2/h4-9H2,1-3H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;4*1-2H3
InChIKeyNMBCXAIUJGVWTF-UHFFFAOYSA-N
MW656.27 g/mol
LogP13.75
Rot. Bonds

About 1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane

1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane (PubChem CID 159819553) has the molecular formula C43H97N3 and a molecular weight of 656.27 g/mol. Its IUPAC name is 1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane.

Molecular Properties

Compound Name1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
PubChem CID159819553
Molecular FormulaC43H97N3
Molecular Weight656.27 g/mol
Exact Mass655.77
IUPAC Name1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane
SMILESCC.CC.CC.CC.CC(C)(C)C1CCCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1
InChIInChI=1S/C10H21N.C9H19N.C9H18.C7H15N.4C2H6/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-8;1-7(2,3)8-5-4-6-8;4*1-2/h4-9H2,1-3H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;4*1-2H3
InChIKeyNMBCXAIUJGVWTF-UHFFFAOYSA-N
XLogP13.75
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.27
LogP ≤ 513.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane with MolForge

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Related Compounds

1-tert-butylpiperidine;4-tert-butylpiperidine
CID 161268156
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CID 160676228
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
tert-butylcyclopentadecane
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CID 90712737
1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
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CID 159756767
1-tert-butylpiperidine;1-(4-tert-butylpiperidin-1-yl)ethanone;methane
CID 160970317
1,4-ditert-butylcyclohexane;1,4-ditert-butylpiperazine;bis(1,4-ditert-butylpiperidine)
CID 165100869
tert-butylbenzene;bis(tert-butylcyclohexane);1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine;methane
CID 159135936
bis(tert-butylcyclohexane);bis(tert-butylcyclopentane);1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;(2R)-2-tert-butyl-1-methylpyrrolidine;(2S)-2-tert-butyl-1-methylpyrrolidine;bis(1-tert-butylpiperidine);methane
CID 159296584

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane?
The IUPAC name of 1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane (CID 159819553) is 1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane.
What is the SMILES notation for 1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane?
The canonical SMILES for 1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane is CC.CC.CC.CC.CC(C)(C)C1CCCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCCC1.
What is the InChIKey of 1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane?
The InChIKey is NMBCXAIUJGVWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H19N.C9H18.C7H15N.4C2H6/c1-10(2,3)11-8-6-4-5-7-9-11;1-9(2,3)10-7-5-4-6-8-10;1-9(2,3)8-6-4-5-7-8;1-7(2,3)8-5-4-6-8;4*1-2/h4-9H2,1-3H3;4-8H2,1-3H3;8H,4-7H2,1-3H3;4-6H2,1-3H3;4*1-2H3.
What are the key properties of 1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane?
1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane has a molecular weight of 656.27 g/mol, XLogP of 13.75, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazepane;1-tert-butylazetidine;tert-butylcyclopentane;1-tert-butylpiperidine;ethane is sourced from PubChem (CID 159819553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).