(E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine

C13H26N2 — CID 143378260

IUPAC(E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine
SMILESCCC(C)C/C=C(\N)N1CCCCCC1
InChIInChI=1S/C13H26N2/c1-3-12(2)8-9-13(14)15-10-6-4-5-7-11-15/h9,12H,3-8,10-11,14H2,1-2H3/b13-9+
InChIKeyZFYFFAHEZHLKGO-UKTHLTGXSA-N
MW210.36 g/mol
LogP3.10
Rot. Bonds4

About (E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine

(E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine (PubChem CID 143378260) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine
PubChem CID143378260
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine
SMILESCCC(C)C/C=C(\N)N1CCCCCC1
InChIInChI=1S/C13H26N2/c1-3-12(2)8-9-13(14)15-10-6-4-5-7-11-15/h9,12H,3-8,10-11,14H2,1-2H3/b13-9+
InChIKeyZFYFFAHEZHLKGO-UKTHLTGXSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-1-(azepan-1-yl)-4-methylhex-1-en-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

(E)-5-methyl-1-piperidin-1-ylhept-2-en-1-one
CID 59559289
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
2,5-dimethylhept-2-ene;ethane
CID 144650208
1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
CID 62691599
[4-(2-methylbutyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 6422642
N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
CID 103101659
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
1-piperidin-1-ylethanone;propanal
CID 178173122
N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide
CID 79152799
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529

Frequently Asked Questions

What is the IUPAC name of (E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine?
The IUPAC name of (E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine (CID 143378260) is (E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine.
What is the SMILES notation for (E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine?
The canonical SMILES for (E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine is CCC(C)C/C=C(\N)N1CCCCCC1.
What is the InChIKey of (E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine?
The InChIKey is ZFYFFAHEZHLKGO-UKTHLTGXSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-12(2)8-9-13(14)15-10-6-4-5-7-11-15/h9,12H,3-8,10-11,14H2,1-2H3/b13-9+.
What are the key properties of (E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine?
(E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine has a molecular weight of 210.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(azepan-1-yl)-4-methylhex-1-en-1-amine is sourced from PubChem (CID 143378260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).