(1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine

C16H17N — CID 144995252

IUPAC(1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine
SMILESC=C(/C=C(\N)C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C16H17N/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2,4-6,8-12H,1,3,7,17H2/b16-12-
InChIKeyRMSDUQNRXBTIBS-VBKFSLOCSA-N
MW223.32 g/mol
LogP3.82
Rot. Bonds3

About (1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine

(1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine (PubChem CID 144995252) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine
PubChem CID144995252
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine
SMILESC=C(/C=C(\N)C1=CCCC=C1)c1ccccc1
InChIInChI=1S/C16H17N/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2,4-6,8-12H,1,3,7,17H2/b16-12-
InChIKeyRMSDUQNRXBTIBS-VBKFSLOCSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.82
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

N'-(C-cyclohexa-1,5-dien-1-yl-N-methylcarbonimidoyl)benzenecarboximidamide
CID 145365910
1-cyclohexa-1,5-dien-1-yl-N-methyl-1-phenylmethanimine
CID 142890408
1-[(E)-2-cyclohexa-1,5-dien-1-yl-2-phenylethenyl]-4-[4-(2,2-diphenylethenyl)phenyl]benzene
CID 140884240
1-phenylethenoxysulfanyl cyclohexa-1,5-diene-1-carboxylate
CID 167309998
2-[cyclohexa-1,5-dien-1-yl(phenyl)methylidene]propanedinitrile
CID 143467248
(Z)-1-cyclohexa-1,5-dien-1-yl-N'-methylethene-1,2-diamine;propan-2-amine
CID 143111173
2-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexa-1,3-diene
CID 150188224
(3-benzoyl-5-methylphenyl)-cyclohexa-1,5-dien-1-ylmethanone
CID 144619671
anthracen-2-yl(cyclohexa-1,5-dien-1-yl)methanone
CID 126606855
methanol;2-(3-methylbuta-1,3-dien-2-yl)cyclohexa-1,3-diene
CID 164543952
(1Z)-3-phenylbuta-1,3-dien-1-amine
CID 118909189
N-cyclohexa-1,5-dien-1-yl-1,1-diphenylmethanimine
CID 175731651

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine (CID 144995252) is (1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine is C=C(/C=C(\N)C1=CCCC=C1)c1ccccc1.
What is the InChIKey of (1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine?
The InChIKey is RMSDUQNRXBTIBS-VBKFSLOCSA-N. The full InChI is InChI=1S/C16H17N/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2,4-6,8-12H,1,3,7,17H2/b16-12-.
What are the key properties of (1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine?
(1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine has a molecular weight of 223.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-cyclohexa-1,5-dien-1-yl-3-phenylbuta-1,3-dien-1-amine is sourced from PubChem (CID 144995252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).