1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine

C13H14ClN — CID 54056378

IUPAC1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine
SMILESC#CC(C=Cc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C13H14ClN/c1-4-13(15(2)3)10-7-11-5-8-12(14)9-6-11/h1,5-10,13H,2-3H3
InChIKeyLWODDQIWJSOBFR-UHFFFAOYSA-N
MW219.72 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine

1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine (PubChem CID 54056378) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine
PubChem CID54056378
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine
SMILESC#CC(C=Cc1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C13H14ClN/c1-4-13(15(2)3)10-7-11-5-8-12(14)9-6-11/h1,5-10,13H,2-3H3
InChIKeyLWODDQIWJSOBFR-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[(E,3S)-3-methylpent-1-enyl]benzene
CID 138964218
(E)-1-(4-chlorophenyl)-4-methylpent-1-en-3-amine
CID 10954799
4-(4-chlorophenyl)but-3-en-2-amine
CID 67270933
(E)-4-(4-chlorophenyl)but-3-en-2-ol
CID 11019514
1-chloro-4-[3-(4-chlorophenyl)but-1-enyl]benzene
CID 71334740
1-chloro-4-[(E)-3-(4-chlorophenyl)but-1-enyl]benzene
CID 11425891
2-(dimethylamino)-4-phenylbut-3-enenitrile
CID 73110319
tributyl-[(E)-2-(4-chlorophenyl)ethenyl]phosphanium
CID 102390527
(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
CID 103092390
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
4-[5-(4-chlorophenyl)penta-1,4-dienyl]-N,N-dimethylaniline
CID 58649433
3-(4-chlorophenyl)-N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 163540078

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine?
The IUPAC name of 1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine (CID 54056378) is 1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine is C#CC(C=Cc1ccc(Cl)cc1)N(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine?
The InChIKey is LWODDQIWJSOBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-4-13(15(2)3)10-7-11-5-8-12(14)9-6-11/h1,5-10,13H,2-3H3.
What are the key properties of 1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine?
1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine has a molecular weight of 219.72 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N,N-dimethylpent-1-en-4-yn-3-amine is sourced from PubChem (CID 54056378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).