(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride

C9H20ClN — CID 155225855

IUPAC(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride
SMILESCCCCN/C=C(\C)CC.Cl
InChIInChI=1S/C9H19N.ClH/c1-4-6-7-10-8-9(3)5-2;/h8,10H,4-7H2,1-3H3;1H/b9-8+;
InChIKeyUEXCPXKYDQPZNW-HRNDJLQDSA-N
MW177.72 g/mol
LogP3.11
Rot. Bonds5

About (E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride

(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride (PubChem CID 155225855) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is (E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride
PubChem CID155225855
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride
SMILESCCCCN/C=C(\C)CC.Cl
InChIInChI=1S/C9H19N.ClH/c1-4-6-7-10-8-9(3)5-2;/h8,10H,4-7H2,1-3H3;1H/b9-8+;
InChIKeyUEXCPXKYDQPZNW-HRNDJLQDSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride 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-(2-methylprop-1-enyl)dodecan-1-amine;hydrochloride
CID 173417762
(Z)-1-N-butylbut-1-ene-1,2-diamine
CID 89423633
(Z)-N'-ethyl-2-methyl-N-pentylprop-1-ene-1,3-diamine
CID 166834532
N-(2-methylprop-1-enyl)dodecan-1-amine
CID 88695938
(E,4S,5R)-1-N-butyl-2,4-dimethylhept-1-ene-1,5-diamine
CID 163901968
N-[(Z)-prop-1-enyl]butan-1-amine;hydrochloride
CID 155386261
(E)-3-(hexylamino)-2-methylprop-2-enoic acid
CID 87504773
N-butyl-2-methylbut-2-en-1-amine
CID 76568540
N-butylbutan-1-amine;hydrochloride
CID 3083954
(Z)-3-methyldec-3-en-5-yne
CID 134977329
butyl-dimethyl-(2-methylbut-1-enyl)azanium
CID 123553214
2-methyl-3-(propylamino)prop-2-enal;hydrochloride
CID 175310353

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride?
The IUPAC name of (E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride (CID 155225855) is (E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride?
The canonical SMILES for (E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride is CCCCN/C=C(\C)CC.Cl.
What is the InChIKey of (E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride?
The InChIKey is UEXCPXKYDQPZNW-HRNDJLQDSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-4-6-7-10-8-9(3)5-2;/h8,10H,4-7H2,1-3H3;1H/b9-8+;.
What are the key properties of (E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride?
(E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-2-methylbut-1-en-1-amine;hydrochloride is sourced from PubChem (CID 155225855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).