(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride

C14H22ClN — CID 171225337

IUPAC(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@H](N)c1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C14H21N.ClH/c1-5-6-7-13(15)14-11(3)8-10(2)9-12(14)4;/h5,8-9,13H,1,6-7,15H2,2-4H3;1H/t13-;/m0./s1
InChIKeyBGWMZYNSAJKNGD-ZOWNYOTGSA-N
MW239.79 g/mol
LogP4.00
Rot. Bonds4

About (1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride

(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride (PubChem CID 171225337) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is (1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
PubChem CID171225337
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride
SMILESC=CCC[C@H](N)c1c(C)cc(C)cc1C.Cl
InChIInChI=1S/C14H21N.ClH/c1-5-6-7-13(15)14-11(3)8-10(2)9-12(14)4;/h5,8-9,13H,1,6-7,15H2,2-4H3;1H/t13-;/m0./s1
InChIKeyBGWMZYNSAJKNGD-ZOWNYOTGSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-1-(2,4,6-trimethylphenyl)pent-4-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

1-(2,4,6-trimethylphenyl)pent-4-enylhydrazine
CID 105311566
(1R)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517545
N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 66808934
(1R)-1-(3-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209890
1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 114752275
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
1-[(1R)-1-(2,4,6-trimethylphenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171290601
(1R)-1-(3-fluoro-4-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204371
(1R)-1-(2-fluoro-5-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171204037
1-(2,4,6-trimethylphenyl)prop-2-en-1-amine
CID 55282598
5,5,5-trifluoro-1-(2,4,6-trimethylphenyl)pentan-1-amine
CID 105024104
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride (CID 171225337) is (1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride is C=CCC[C@H](N)c1c(C)cc(C)cc1C.Cl.
What is the InChIKey of (1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride?
The InChIKey is BGWMZYNSAJKNGD-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H21N.ClH/c1-5-6-7-13(15)14-11(3)8-10(2)9-12(14)4;/h5,8-9,13H,1,6-7,15H2,2-4H3;1H/t13-;/m0./s1.
What are the key properties of (1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride?
(1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride has a molecular weight of 239.79 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4,6-trimethylphenyl)pent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 171225337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).