6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine

C12H26N2 — CID 155187142

IUPAC6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine
SMILESCCC(C)(C)N1CCC(N)CC(C)C1
InChIInChI=1S/C12H26N2/c1-5-12(3,4)14-7-6-11(13)8-10(2)9-14/h10-11H,5-9,13H2,1-4H3
InChIKeyPRKZNZJSMYWTIF-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds2

About 6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine

6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine (PubChem CID 155187142) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine.

Molecular Properties

Compound Name6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine
PubChem CID155187142
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine
SMILESCCC(C)(C)N1CCC(N)CC(C)C1
InChIInChI=1S/C12H26N2/c1-5-12(3,4)14-7-6-11(13)8-10(2)9-14/h10-11H,5-9,13H2,1-4H3
InChIKeyPRKZNZJSMYWTIF-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methyl-1-(2-methylbutan-2-yl)azepan-4-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

1-(2-methylbutan-2-yl)pyrrolidin-3-amine
CID 43315387
3-tert-butyl-1-(2-methylbutan-2-yl)pyrrolidine
CID 155259857
2-fluoro-1-(2-methylbutan-2-yl)piperidin-4-amine
CID 167068209
(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine
CID 159904713
1-(2-methylnonan-2-yl)pyrrolidin-3-amine
CID 130338700
3-(2,2-dimethylpropyl)-1-(2-methylbutan-2-yl)piperidine
CID 143176562
1,4,7,10-tetrakis(2-methylbutan-2-yl)-1,4,7,10-tetrazacyclododecane
CID 139847650
1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine
CID 65039089
2-methyl-N-[[1-(2-methylbutan-2-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512074
3-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863426
2-methyl-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 24689599
2-(2-methylbutan-2-yl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926914

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine?
The IUPAC name of 6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine (CID 155187142) is 6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine.
What is the SMILES notation for 6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine?
The canonical SMILES for 6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine is CCC(C)(C)N1CCC(N)CC(C)C1.
What is the InChIKey of 6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine?
The InChIKey is PRKZNZJSMYWTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-12(3,4)14-7-6-11(13)8-10(2)9-14/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine?
6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylbutan-2-yl)azepan-4-amine is sourced from PubChem (CID 155187142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).