(1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine

C18H21N — CID 144661992

IUPAC(1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine
SMILESCC1=CCCC=C1C/C=C(\C=C/N)c1ccccc1
InChIInChI=1S/C18H21N/c1-15-7-5-6-8-16(15)11-12-18(13-14-19)17-9-3-2-4-10-17/h2-4,7-10,12-14H,5-6,11,19H2,1H3/b14-13-,18-12+
InChIKeyURVCVSSBDMKHOO-NTMPRHFZSA-N
MW251.37 g/mol
LogP4.60
Rot. Bonds4

About (1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine

(1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine (PubChem CID 144661992) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine
PubChem CID144661992
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine
SMILESCC1=CCCC=C1C/C=C(\C=C/N)c1ccccc1
InChIInChI=1S/C18H21N/c1-15-7-5-6-8-16(15)11-12-18(13-14-19)17-9-3-2-4-10-17/h2-4,7-10,12-14H,5-6,11,19H2,1H3/b14-13-,18-12+
InChIKeyURVCVSSBDMKHOO-NTMPRHFZSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3E)-3,5-diphenylpenta-1,3-dien-1-amine
CID 145186823
(3E,5Z)-6-amino-2-methylidene-4-phenylhexa-3,5-dienal
CID 89294053
1-methyl-3-(5-methyl-3-phenylhexa-2,4-dienyl)benzene
CID 123209273
(1Z)-3-phenylbuta-1,3-dien-1-amine
CID 118909189
3-(2-methylphenyl)-3-phenylprop-2-en-1-amine
CID 131859830
2,2-diphenylethenyl-ethyl-phenylphosphane
CID 174770397
1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155
(Z)-2-phenylbut-1-en-1-amine
CID 142213019
ethane;(Z)-3-ethylimino-2-(3-methylphenyl)prop-1-en-1-amine
CID 166546337
trimethyl(2,5,5-triphenylpenta-1,4-dienyl)silane
CID 601377
(Z)-N-ethyl-2-phenylpent-2-en-1-imine
CID 143898078
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine (CID 144661992) is (1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine is CC1=CCCC=C1C/C=C(\C=C/N)c1ccccc1.
What is the InChIKey of (1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine?
The InChIKey is URVCVSSBDMKHOO-NTMPRHFZSA-N. The full InChI is InChI=1S/C18H21N/c1-15-7-5-6-8-16(15)11-12-18(13-14-19)17-9-3-2-4-10-17/h2-4,7-10,12-14H,5-6,11,19H2,1H3/b14-13-,18-12+.
What are the key properties of (1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine?
(1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-(6-methylcyclohexa-1,5-dien-1-yl)-3-phenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 144661992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).