5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine

C15H32N2 — CID 113497185

IUPAC5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine
SMILESCC1CCCN(CCC(N)CC(C)(C)C)CC1
InChIInChI=1S/C15H32N2/c1-13-6-5-9-17(10-7-13)11-8-14(16)12-15(2,3)4/h13-14H,5-12,16H2,1-4H3
InChIKeyWCMWUEUSFDBAOG-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.26
Rot. Bonds4

About 5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine

5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine (PubChem CID 113497185) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine
PubChem CID113497185
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine
SMILESCC1CCCN(CCC(N)CC(C)(C)C)CC1
InChIInChI=1S/C15H32N2/c1-13-6-5-9-17(10-7-13)11-8-14(16)12-15(2,3)4/h13-14H,5-12,16H2,1-4H3
InChIKeyWCMWUEUSFDBAOG-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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 5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-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

methyl 2-amino-4-(4-methylazepan-1-yl)butanoate
CID 63623785
1-(2,2-dimethylpropyl)-4-methylazepane
CID 142575360
1-(4-methylazepan-1-yl)pentan-2-amine
CID 63624430
(2R)-1-(4-methylazepan-1-yl)butan-2-amine
CID 130522357
4,4-dimethyl-1-(4-methylazepan-1-yl)-N-propylpentan-3-amine
CID 63624701
1-(2,4-dimethyl-1,4-diazepan-1-yl)-5,5-dimethylhexan-3-amine
CID 114087088
2,2-dimethyl-6-(4-methylazepan-1-yl)hexan-1-amine
CID 106708126
N-[2-(4-methylazepan-1-yl)ethyl]propan-2-amine
CID 63622599
ethyl 2-amino-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55248054
4,4-dimethyl-1-piperidin-1-ylpentan-2-amine
CID 117241671
5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine
CID 113497212
1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine
CID 83126507

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine?
The IUPAC name of 5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine (CID 113497185) is 5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine.
What is the SMILES notation for 5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine?
The canonical SMILES for 5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine is CC1CCCN(CCC(N)CC(C)(C)C)CC1.
What is the InChIKey of 5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine?
The InChIKey is WCMWUEUSFDBAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13-6-5-9-17(10-7-13)11-8-14(16)12-15(2,3)4/h13-14H,5-12,16H2,1-4H3.
What are the key properties of 5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine?
5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine has a molecular weight of 240.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(4-methylazepan-1-yl)hexan-3-amine is sourced from PubChem (CID 113497185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).