N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine

C21H24N2 — CID 154932235

IUPACN-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine
SMILESC=C(/C=C/c1ccccc1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C21H24N2/c1-18(15-16-19-10-4-2-5-11-19)23(20-12-6-3-7-13-20)21-14-8-9-17-22-21/h2,4-5,8-11,14-17,20H,1,3,6-7,12-13H2/b16-15+
InChIKeyMEFQSTCZFODGLE-FOCLMDBBSA-N
MW304.44 g/mol
LogP5.45
Rot. Bonds5

About N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine

N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine (PubChem CID 154932235) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine
PubChem CID154932235
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC NameN-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine
SMILESC=C(/C=C/c1ccccc1)N(c1ccccn1)C1CCCCC1
InChIInChI=1S/C21H24N2/c1-18(15-16-19-10-4-2-5-11-19)23(20-12-6-3-7-13-20)21-14-8-9-17-22-21/h2,4-5,8-11,14-17,20H,1,3,6-7,12-13H2/b16-15+
InChIKeyMEFQSTCZFODGLE-FOCLMDBBSA-N
XLogP5.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 80311
2-(Benzylamino)pyridine
CID 23362
N-2-Pyridylaniline
CID 81130
4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
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WZ 811
CID 11565518
(-)-Mirtazapine
CID 3085219

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine?
The IUPAC name of N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine (CID 154932235) is N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine?
The canonical SMILES for N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine is C=C(/C=C/c1ccccc1)N(c1ccccn1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine?
The InChIKey is MEFQSTCZFODGLE-FOCLMDBBSA-N. The full InChI is InChI=1S/C21H24N2/c1-18(15-16-19-10-4-2-5-11-19)23(20-12-6-3-7-13-20)21-14-8-9-17-22-21/h2,4-5,8-11,14-17,20H,1,3,6-7,12-13H2/b16-15+.
What are the key properties of N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine?
N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine has a molecular weight of 304.44 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(3E)-4-phenylbuta-1,3-dien-2-yl]pyridin-2-amine is sourced from PubChem (CID 154932235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).