N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine

C16H32N2 — CID 103981217

IUPACN-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine
SMILESCC1CCC(C(C)C)C(NC2CCCNCC2)C1
InChIInChI=1S/C16H32N2/c1-12(2)15-7-6-13(3)11-16(15)18-14-5-4-9-17-10-8-14/h12-18H,4-11H2,1-3H3
InChIKeyKMUKXEQTEBDDOE-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.18
Rot. Bonds3

About N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine

N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine (PubChem CID 103981217) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine
PubChem CID103981217
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine
SMILESCC1CCC(C(C)C)C(NC2CCCNCC2)C1
InChIInChI=1S/C16H32N2/c1-12(2)15-7-6-13(3)11-16(15)18-14-5-4-9-17-10-8-14/h12-18H,4-11H2,1-3H3
InChIKeyKMUKXEQTEBDDOE-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-N-(3-methylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
CID 43317464
N-(2-methylcyclopropyl)azepan-4-amine
CID 103982013
5-methyl-2-propan-2-yl-N-(3-propan-2-ylcyclobutyl)cyclohexan-1-amine
CID 103561293
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,1-dioxothian-4-amine
CID 43614944
N-(2,4-dimethylcyclohexyl)piperidin-4-amine
CID 63996666
N-(5-methyl-2-propan-2-ylcyclohexyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43710247
4-[(5-methyl-2-propan-2-ylcyclohexyl)amino]cyclohexane-1-carboxamide
CID 43748782
N-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-3-carboxamide;hydrochloride
CID 119304535
N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine
CID 94428822
4-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)piperidine-4-carboxamide
CID 63121777
N-cyclobutyl-2,5-dimethylcyclohexan-1-amine
CID 64761311
N-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]formamide
CID 59847881

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine (CID 103981217) is N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine is CC1CCC(C(C)C)C(NC2CCCNCC2)C1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine?
The InChIKey is KMUKXEQTEBDDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-12(2)15-7-6-13(3)11-16(15)18-14-5-4-9-17-10-8-14/h12-18H,4-11H2,1-3H3.
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine?
N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine has a molecular weight of 252.45 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine is sourced from PubChem (CID 103981217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).