N-(2-methylcyclopropyl)azepan-4-amine

C10H20N2 — CID 103982013

IUPACN-(2-methylcyclopropyl)azepan-4-amine
SMILESCC1CC1NC1CCCNCC1
InChIInChI=1S/C10H20N2/c1-8-7-10(8)12-9-3-2-5-11-6-4-9/h8-12H,2-7H2,1H3
InChIKeyAIYIKRQHJHZESG-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.13
Rot. Bonds2

About N-(2-methylcyclopropyl)azepan-4-amine

N-(2-methylcyclopropyl)azepan-4-amine (PubChem CID 103982013) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N-(2-methylcyclopropyl)azepan-4-amine.

Molecular Properties

Compound NameN-(2-methylcyclopropyl)azepan-4-amine
PubChem CID103982013
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN-(2-methylcyclopropyl)azepan-4-amine
SMILESCC1CC1NC1CCCNCC1
InChIInChI=1S/C10H20N2/c1-8-7-10(8)12-9-3-2-5-11-6-4-9/h8-12H,2-7H2,1H3
InChIKeyAIYIKRQHJHZESG-UHFFFAOYSA-N
XLogP1.13
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S)-2-methylcyclopropyl]piperidin-4-amine
CID 94428822
N-(2-ethylcyclohexyl)azepan-4-amine
CID 103981213
N-(2,4-dimethylcyclohexyl)piperidin-4-amine
CID 63996666
N-(5-methyl-2-propan-2-ylcyclohexyl)azepan-4-amine
CID 103981217
1-(azepan-4-ylamino)propan-2-ol
CID 103980928
tert-butyl N-[2-(azepan-4-ylamino)cycloheptyl]carbamate
CID 107244081
N-(1-methylpyrrolidin-3-yl)azepan-4-amine
CID 103981819
N-(3,3-dimethylcyclopentyl)azepan-4-amine
CID 114544399
N-cyclobutyl-2,5-dimethylcyclohexan-1-amine
CID 64761311
4-(azepan-4-ylamino)butan-2-ol
CID 103982285
N-(2,3-dimethylcyclopentyl)cyclododecanamine
CID 64909972
N-(azepan-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 113361626

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopropyl)azepan-4-amine?
The IUPAC name of N-(2-methylcyclopropyl)azepan-4-amine (CID 103982013) is N-(2-methylcyclopropyl)azepan-4-amine.
What is the SMILES notation for N-(2-methylcyclopropyl)azepan-4-amine?
The canonical SMILES for N-(2-methylcyclopropyl)azepan-4-amine is CC1CC1NC1CCCNCC1.
What is the InChIKey of N-(2-methylcyclopropyl)azepan-4-amine?
The InChIKey is AIYIKRQHJHZESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8-7-10(8)12-9-3-2-5-11-6-4-9/h8-12H,2-7H2,1H3.
What are the key properties of N-(2-methylcyclopropyl)azepan-4-amine?
N-(2-methylcyclopropyl)azepan-4-amine has a molecular weight of 168.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopropyl)azepan-4-amine is sourced from PubChem (CID 103982013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).