2-methyl-3-(4-methylazepan-1-yl)butan-1-amine

C12H26N2 — CID 79408333

IUPAC2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
SMILESCC1CCCN(C(C)C(C)CN)CC1
InChIInChI=1S/C12H26N2/c1-10-5-4-7-14(8-6-10)12(3)11(2)9-13/h10-12H,4-9,13H2,1-3H3
InChIKeyQGHGSPHOJJYIFN-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds3

About 2-methyl-3-(4-methylazepan-1-yl)butan-1-amine

2-methyl-3-(4-methylazepan-1-yl)butan-1-amine (PubChem CID 79408333) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-methyl-3-(4-methylazepan-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
PubChem CID79408333
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
SMILESCC1CCCN(C(C)C(C)CN)CC1
InChIInChI=1S/C12H26N2/c1-10-5-4-7-14(8-6-10)12(3)11(2)9-13/h10-12H,4-9,13H2,1-3H3
InChIKeyQGHGSPHOJJYIFN-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-(4-methylazepan-1-yl)butan-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

N-ethyl-2-methyl-3-(4-methylazepan-1-yl)butan-1-amine
CID 81019015
4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine
CID 114281893
ethane;4-methyl-1-propan-2-ylazepane
CID 144749711
1-amino-3-(4-methylpiperidin-1-yl)butan-2-ol
CID 164661529
2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415139
3-(3-methoxypiperidin-1-yl)-2-methylbutan-1-amine
CID 102968184
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylbutan-1-amine
CID 79409569
1-but-3-en-2-yl-4-methylazepane
CID 131042080
4-methyl-2-(4-methylpiperidin-1-yl)pentan-1-amine
CID 16783937
1-(1,1-difluoropropan-2-yl)-4-methylpiperidine
CID 126716416
(2R)-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 30081942
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylazepan-1-yl)butan-1-amine?
The IUPAC name of 2-methyl-3-(4-methylazepan-1-yl)butan-1-amine (CID 79408333) is 2-methyl-3-(4-methylazepan-1-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-methylazepan-1-yl)butan-1-amine?
The canonical SMILES for 2-methyl-3-(4-methylazepan-1-yl)butan-1-amine is CC1CCCN(C(C)C(C)CN)CC1.
What is the InChIKey of 2-methyl-3-(4-methylazepan-1-yl)butan-1-amine?
The InChIKey is QGHGSPHOJJYIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-10-5-4-7-14(8-6-10)12(3)11(2)9-13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 2-methyl-3-(4-methylazepan-1-yl)butan-1-amine?
2-methyl-3-(4-methylazepan-1-yl)butan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylazepan-1-yl)butan-1-amine is sourced from PubChem (CID 79408333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).