N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine

C22H25N — CID 174416456

IUPACN-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine
SMILESC(=Cc1ccccc1)C=C(NC1CCCCC1)c1ccccc1
InChIInChI=1S/C22H25N/c1-4-11-19(12-5-1)13-10-18-22(20-14-6-2-7-15-20)23-21-16-8-3-9-17-21/h1-2,4-7,10-15,18,21,23H,3,8-9,16-17H2
InChIKeyYXJYPQRIFDJKQB-UHFFFAOYSA-N
MW303.45 g/mol
LogP5.66
Rot. Bonds5

About N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine

N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine (PubChem CID 174416456) has the molecular formula C22H25N and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine.

Molecular Properties

Compound NameN-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine
PubChem CID174416456
Molecular FormulaC22H25N
Molecular Weight303.45 g/mol
Exact Mass303.20
IUPAC NameN-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine
SMILESC(=Cc1ccccc1)C=C(NC1CCCCC1)c1ccccc1
InChIInChI=1S/C22H25N/c1-4-11-19(12-5-1)13-10-18-22(20-14-6-2-7-15-20)23-21-16-8-3-9-17-21/h1-2,4-7,10-15,18,21,23H,3,8-9,16-17H2
InChIKeyYXJYPQRIFDJKQB-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.45
LogP ≤ 55.66
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-[(2Z,4Z)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2232702
(E)-3-(cyclohexylamino)-1,3-diphenylprop-2-en-1-one
CID 6186115
N-[(2E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide
CID 7033189
N-[(2E,4E)-1-(cyclohexylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-methylbenzamide
CID 2302595
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
N-tert-butyl-1,4-diphenylbuta-1,3-dien-1-amine
CID 174419746
N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 5060325
(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 6260559
3-(cyclohexylamino)-1-phenylbut-2-ene-1-thione
CID 87477337
N-cyclohexyl-2-oxo-2-phenylacetamide
CID 11436176
2-(cyclohexylmethyl)-5-phenylpenta-2,4-dienoic acid
CID 57130358
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979

Frequently Asked Questions

What is the IUPAC name of N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine?
The IUPAC name of N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine (CID 174416456) is N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine.
What is the SMILES notation for N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine?
The canonical SMILES for N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine is C(=Cc1ccccc1)C=C(NC1CCCCC1)c1ccccc1.
What is the InChIKey of N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine?
The InChIKey is YXJYPQRIFDJKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N/c1-4-11-19(12-5-1)13-10-18-22(20-14-6-2-7-15-20)23-21-16-8-3-9-17-21/h1-2,4-7,10-15,18,21,23H,3,8-9,16-17H2.
What are the key properties of N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine?
N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine has a molecular weight of 303.45 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-diphenylbuta-1,3-dienyl)cyclohexanamine is sourced from PubChem (CID 174416456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).