2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine

C15H32N2 — CID 65282350

IUPAC2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CCCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-5-7-15(4,12-16)13-17-10-6-8-14(2,3)9-11-17/h5-13,16H2,1-4H3
InChIKeyHIWMWNRZURLJAS-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.26
Rot. Bonds5

About 2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine

2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine (PubChem CID 65282350) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine
PubChem CID65282350
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine
SMILESCCCC(C)(CN)CN1CCCC(C)(C)CC1
InChIInChI=1S/C15H32N2/c1-5-7-15(4,12-16)13-17-10-6-8-14(2,3)9-11-17/h5-13,16H2,1-4H3
InChIKeyHIWMWNRZURLJAS-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-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

2-[(4,4-dimethylazepan-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 65281633
1-[2-(bromomethyl)-2-propylpentyl]-4,4-dimethylazepane
CID 65283083
N-[2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 65281916
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine
CID 62263147
1-[2-(aminomethyl)-2-methylpentyl]pyrrolidin-3-ol
CID 62941187
1-(4,4-dimethylazepan-1-yl)-2,3-dimethylbutan-2-ol
CID 114449017
4,4-dimethyl-1-pentylazepane
CID 18723213
2-[(4,4-diethylpiperidin-1-yl)methyl]-2-methylbutan-1-amine
CID 63159996
4-(4,4-dimethylazepan-1-yl)-2-methylbutan-2-ol
CID 79361847
2-[(3,3-dimethylmorpholin-4-yl)methyl]-2-methylpentan-1-amine
CID 62260675
2-[(4,4-dimethylazepan-1-yl)methyl]-2-ethylbutanoic acid
CID 65281921
2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine?
The IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine (CID 65282350) is 2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine?
The canonical SMILES for 2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine is CCCC(C)(CN)CN1CCCC(C)(C)CC1.
What is the InChIKey of 2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine?
The InChIKey is HIWMWNRZURLJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-7-15(4,12-16)13-17-10-6-8-14(2,3)9-11-17/h5-13,16H2,1-4H3.
What are the key properties of 2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine?
2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylazepan-1-yl)methyl]-2-methylpentan-1-amine is sourced from PubChem (CID 65282350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).