1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen

C83H180N8 — CID 158630337

IUPAC1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen
SMILESCC(C)(C)C1CCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.[H][H].[H][H].[H][H]
InChIInChI=1S/4C9H19N.3C8H17N.2C8H16.C7H15N.3H2/c1-9(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;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-5-4-6-7;1-7(2,3)8-5-4-6-8;;;/h2*8,10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H2,1-3H3;3*1H
InChIKeyHZCOJXXBUBSUFQ-UHFFFAOYSA-N
MW1290.41 g/mol
LogP21.71
Rot. Bonds

About 1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen

1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen (PubChem CID 158630337) has the molecular formula C83H180N8 and a molecular weight of 1290.41 g/mol. Its IUPAC name is 1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen.

Molecular Properties

Compound Name1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen
PubChem CID158630337
Molecular FormulaC83H180N8
Molecular Weight1290.41 g/mol
Exact Mass1289.43
IUPAC Name1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen
SMILESCC(C)(C)C1CCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.[H][H].[H][H].[H][H]
InChIInChI=1S/4C9H19N.3C8H17N.2C8H16.C7H15N.3H2/c1-9(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;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-5-4-6-7;1-7(2,3)8-5-4-6-8;;;/h2*8,10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H2,1-3H3;3*1H
InChIKeyHZCOJXXBUBSUFQ-UHFFFAOYSA-N
XLogP21.71
TPSA69.87 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001290.41
LogP ≤ 521.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen?
The IUPAC name of 1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen (CID 158630337) is 1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen.
What is the SMILES notation for 1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen?
The canonical SMILES for 1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen is CC(C)(C)C1CCC1.CC(C)(C)C1CCC1.CC(C)(C)C1CCCCN1.CC(C)(C)C1CCCN1.CC(C)(C)C1CCCNC1.CC(C)(C)C1CCNC1.CC(C)(C)C1CCNCC1.CC(C)(C)N1CCC1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.[H][H].[H][H].[H][H].
What is the InChIKey of 1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen?
The InChIKey is HZCOJXXBUBSUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H19N.3C8H17N.2C8H16.C7H15N.3H2/c1-9(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;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-5-4-6-7;1-7(2,3)8-5-4-6-8;;;/h2*8,10H,4-7H2,1-3H3;4-8H2,1-3H3;8,10H,4-7H2,1-3H3;7,9H,4-6H2,1-3H3;4-7H2,1-3H3;7,9H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;4-6H2,1-3H3;3*1H.
What are the key properties of 1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen?
1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen has a molecular weight of 1290.41 g/mol, XLogP of 21.71, 0 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylazetidine;bis(tert-butylcyclobutane);1-tert-butylpiperidine;2-tert-butylpiperidine;3-tert-butylpiperidine;4-tert-butylpiperidine;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;3-tert-butylpyrrolidine;molecular hydrogen is sourced from PubChem (CID 158630337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).