4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine

C17H34N2 — CID 114763379

IUPAC4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(N2CCCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)14-6-5-12-19(13-11-14)16-9-7-15(18-4)8-10-16/h14-16,18H,5-13H2,1-4H3
InChIKeyVPKUZHIWUMUFJE-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds2

About 4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine

4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine (PubChem CID 114763379) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine
PubChem CID114763379
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(N2CCCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C17H34N2/c1-17(2,3)14-6-5-12-19(13-11-14)16-9-7-15(18-4)8-10-16/h14-16,18H,5-13H2,1-4H3
InChIKeyVPKUZHIWUMUFJE-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Ditert-butyl-1-propyl-1,4-diazepane
CID 59036736
(5S)-1-N-[(2S)-4,4-dimethylpentan-2-yl]-1-N,5-N,3-trimethylhexane-1,5-diamine
CID 129149598
1-N-(3-methylpentan-3-yl)-4-N-(3,5,5-trimethylhexan-3-yl)cyclohexane-1,4-diamine
CID 129200446
1-N-(2-ethyl-4-methylpentyl)-4-N-(4-methyl-2-propan-2-ylpentyl)cyclohexane-1,4-diamine
CID 135280930
6-tert-butyl-1-ethyl-N-propan-2-ylazepan-4-amine;ethane
CID 142347766
3-tert-butyl-1-methyl-N-propan-2-ylazepan-4-amine;ethane
CID 142347819
5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
CID 142347916
(5S)-5-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
CID 153291240
(3S)-3-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
CID 153291268
(5S)-N,1,5-tri(propan-2-yl)azepan-4-amine
CID 153291303
(6R)-6-tert-butyl-N,1-di(propan-2-yl)azepan-4-amine
CID 153291305
N,1,5-tri(propan-2-yl)azepan-4-amine
CID 156369357

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine (CID 114763379) is 4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine is CNC1CCC(N2CCCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine?
The InChIKey is VPKUZHIWUMUFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-17(2,3)14-6-5-12-19(13-11-14)16-9-7-15(18-4)8-10-16/h14-16,18H,5-13H2,1-4H3.
What are the key properties of 4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine?
4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 114763379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).