N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine

C16H34N2 — CID 65286965

IUPACN-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)N1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-7-16(5,6)17-13-14(2)18-11-8-9-15(3,4)10-12-18/h14,17H,7-13H2,1-6H3
InChIKeyWJKFFXZHUMPXBP-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine

N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine (PubChem CID 65286965) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine
PubChem CID65286965
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine
SMILESCCC(C)(C)NCC(C)N1CCCC(C)(C)CC1
InChIInChI=1S/C16H34N2/c1-7-16(5,6)17-13-14(2)18-11-8-9-15(3,4)10-12-18/h14,17H,7-13H2,1-6H3
InChIKeyWJKFFXZHUMPXBP-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4,4-dimethylazepan-1-yl)propyl]butan-1-amine
CID 65287018
2-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]butan-2-amine
CID 62556778
2-methyl-N-(2-morpholin-4-ylpropyl)butan-2-amine
CID 62556601
2-(4,4-dimethylazepan-1-yl)-N-(3-methoxypropyl)propan-1-amine
CID 65286526
4-(4,4-dimethylazepan-1-yl)-N-propylpentan-1-amine
CID 65286715
2-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propyl]butan-2-amine
CID 79171044
4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 64726920
N-[2-(4,4-dimethylpiperidin-1-yl)propyl]aniline
CID 62930831
N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408659
N-[2-(4,4-dimethylazepan-1-yl)butyl]cyclopropanamine
CID 65287005
3,3-dimethyl-N-(2-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 81422985
N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine
CID 65286954

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine?
The IUPAC name of N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine (CID 65286965) is N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine.
What is the SMILES notation for N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine?
The canonical SMILES for N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine is CCC(C)(C)NCC(C)N1CCCC(C)(C)CC1.
What is the InChIKey of N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine?
The InChIKey is WJKFFXZHUMPXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-16(5,6)17-13-14(2)18-11-8-9-15(3,4)10-12-18/h14,17H,7-13H2,1-6H3.
What are the key properties of N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine?
N-[2-(4,4-dimethylazepan-1-yl)propyl]-2-methylbutan-2-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 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)propyl]-2-methylbutan-2-amine is sourced from PubChem (CID 65286965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).