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

C16H32N2 — CID 65286954

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

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

N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine (PubChem CID 65286954) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine
PubChem CID65286954
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)N1CCCC(C)(C)CC1
InChIInChI=1S/C16H32N2/c1-13(2)15(12-17-14-6-7-14)18-10-5-8-16(3,4)9-11-18/h13-15,17H,5-12H2,1-4H3
InChIKeyBIXDAWWFPQLIAP-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-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408659
3,3-dimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclopentan-1-amine
CID 80692361
N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
CID 65287005
2-(4,4-dimethylpiperidin-1-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 55155561
N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidin-4-amine
CID 54902639
N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 102968127
N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine
CID 62437767
N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62413695
1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine
CID 80559918
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 63167031
(1R,4S)-1,3,3-trimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 115400409
3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine
CID 79461682

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine (CID 65286954) is N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine is CC(C)C(CNC1CC1)N1CCCC(C)(C)CC1.
What is the InChIKey of N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine?
The InChIKey is BIXDAWWFPQLIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13(2)15(12-17-14-6-7-14)18-10-5-8-16(3,4)9-11-18/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine?
N-[2-(4,4-dimethylazepan-1-yl)-3-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-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 65286954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).