N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine

C16H32N2 — CID 79408659

IUPACN-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)N1CCCC(C)(C)CC1
InChIInChI=1S/C16H32N2/c1-13(12-17-15-6-7-15)14(2)18-10-5-8-16(3,4)9-11-18/h13-15,17H,5-12H2,1-4H3
InChIKeyGYCRWNHFWZOVQU-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds5

About N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine

N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine (PubChem CID 79408659) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine
PubChem CID79408659
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)N1CCCC(C)(C)CC1
InChIInChI=1S/C16H32N2/c1-13(12-17-15-6-7-15)14(2)18-10-5-8-16(3,4)9-11-18/h13-15,17H,5-12H2,1-4H3
InChIKeyGYCRWNHFWZOVQU-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine
CID 65286954
N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
CID 65287005
N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
CID 79409298
N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79414132
N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine
CID 79409708
N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine
CID 114238281
3-(3,3-dimethylpiperidin-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79408655
3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 81422985
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338
N-[2-(3,3-dimethylpyrrolidin-1-yl)-3-methoxypropyl]cyclopropanamine
CID 103226957
N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79409085
2-methyl-N-(2-methylpropyl)-3-(4-propan-2-ylazepan-1-yl)butan-1-amine
CID 81018781

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine (CID 79408659) is N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine is CC(CNC1CC1)C(C)N1CCCC(C)(C)CC1.
What is the InChIKey of N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine?
The InChIKey is GYCRWNHFWZOVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(12-17-15-6-7-15)14(2)18-10-5-8-16(3,4)9-11-18/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine?
N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine is sourced from PubChem (CID 79408659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).