N-methyl-N-(3-methylcyclobutyl)azepan-4-amine

C12H24N2 — CID 107172184

IUPACN-methyl-N-(3-methylcyclobutyl)azepan-4-amine
SMILESCC1CC(N(C)C2CCCNCC2)C1
InChIInChI=1S/C12H24N2/c1-10-8-12(9-10)14(2)11-4-3-6-13-7-5-11/h10-13H,3-9H2,1-2H3
InChIKeyNRCKLXCWDQCGAG-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds2

About N-methyl-N-(3-methylcyclobutyl)azepan-4-amine

N-methyl-N-(3-methylcyclobutyl)azepan-4-amine (PubChem CID 107172184) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclobutyl)azepan-4-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclobutyl)azepan-4-amine
PubChem CID107172184
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-methyl-N-(3-methylcyclobutyl)azepan-4-amine
SMILESCC1CC(N(C)C2CCCNCC2)C1
InChIInChI=1S/C12H24N2/c1-10-8-12(9-10)14(2)11-4-3-6-13-7-5-11/h10-13H,3-9H2,1-2H3
InChIKeyNRCKLXCWDQCGAG-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(3-propan-2-ylcyclobutyl)azepan-4-amine
CID 107172008
N-methyl-N-(3-methylcyclohexyl)piperidin-3-amine
CID 61446233
N-(3-ethylcyclohexyl)-N-methylazepan-4-amine
CID 107172001
N-(1,1-dioxothian-4-yl)-N-methylazepan-4-amine
CID 107172212
N-methyl-N-[3-(trifluoromethyl)cyclohexyl]azepan-4-amine
CID 107171989
N-cyclopropyl-N-methylpiperidin-4-amine;dihydrochloride
CID 53408558
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylazepan-4-amine
CID 107171962
N-cyclopropyl-N-methylpiperidin-3-amine;hydrochloride
CID 118797312
N-methyl-N-(3,3,5-trimethylcyclohexyl)piperidin-3-amine
CID 55249503
N-cyclohexyl-N-methylpiperidin-3-amine;dihydrochloride
CID 56831585
N-methoxy-N-methylazepan-4-amine
CID 84650806
(3R)-N-cyclopropyl-N-methylpyrrolidin-3-amine
CID 66569483

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclobutyl)azepan-4-amine?
The IUPAC name of N-methyl-N-(3-methylcyclobutyl)azepan-4-amine (CID 107172184) is N-methyl-N-(3-methylcyclobutyl)azepan-4-amine.
What is the SMILES notation for N-methyl-N-(3-methylcyclobutyl)azepan-4-amine?
The canonical SMILES for N-methyl-N-(3-methylcyclobutyl)azepan-4-amine is CC1CC(N(C)C2CCCNCC2)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclobutyl)azepan-4-amine?
The InChIKey is NRCKLXCWDQCGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10-8-12(9-10)14(2)11-4-3-6-13-7-5-11/h10-13H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-(3-methylcyclobutyl)azepan-4-amine?
N-methyl-N-(3-methylcyclobutyl)azepan-4-amine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylcyclobutyl)azepan-4-amine is sourced from PubChem (CID 107172184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).