1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride

C14H20ClN — CID 173005036

IUPAC1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
SMILESC=CCC(CC=C)C(N)c1ccccc1.Cl
InChIInChI=1S/C14H19N.ClH/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13;/h3-7,10-12,14H,1-2,8-9,15H2;1H
InChIKeyLXHGWVLZUZGGRM-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.88
Rot. Bonds6

About 1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride

1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride (PubChem CID 173005036) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
PubChem CID173005036
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
SMILESC=CCC(CC=C)C(N)c1ccccc1.Cl
InChIInChI=1S/C14H19N.ClH/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13;/h3-7,10-12,14H,1-2,8-9,15H2;1H
InChIKeyLXHGWVLZUZGGRM-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-prop-2-enylpent-4-en-1-amine;sulfuric acid
CID 175100507
(1-iodo-2-prop-2-enylpent-4-enyl)benzene
CID 141223385
[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
5-phenylhept-1-en-4-amine
CID 115814558
1-phenylbut-3-enylhydrazine
CID 105199312
3-phenylhexa-1,5-dien-2-ol
CID 173444348
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
(1-ethenyl-2-phenylpent-4-enyl)benzene
CID 175560840
2-methyl-1-phenyl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
CID 62619076
(1R)-1-(3-chlorophenyl)but-3-en-1-amine
CID 12984122
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(3S)-3-phenylhex-5-enal
CID 11229081

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride?
The IUPAC name of 1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride (CID 173005036) is 1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride.
What is the SMILES notation for 1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride?
The canonical SMILES for 1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride is C=CCC(CC=C)C(N)c1ccccc1.Cl.
What is the InChIKey of 1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride?
The InChIKey is LXHGWVLZUZGGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.ClH/c1-3-8-12(9-4-2)14(15)13-10-6-5-7-11-13;/h3-7,10-12,14H,1-2,8-9,15H2;1H.
What are the key properties of 1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride?
1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride has a molecular weight of 237.77 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 173005036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).