(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine

C12H15N — CID 166740915

IUPAC(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine
SMILESCN/C=C(C)\C=C/c1ccccc1
InChIInChI=1S/C12H15N/c1-11(10-13-2)8-9-12-6-4-3-5-7-12/h3-10,13H,1-2H3/b9-8-,11-10-
InChIKeyPTGCZGAFGQGWLH-XESWYYRISA-N
MW173.26 g/mol
LogP2.82
Rot. Bonds3

About (1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine

(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine (PubChem CID 166740915) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine
PubChem CID166740915
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine
SMILESCN/C=C(C)\C=C/c1ccccc1
InChIInChI=1S/C12H15N/c1-11(10-13-2)8-9-12-6-4-3-5-7-12/h3-10,13H,1-2H3/b9-8-,11-10-
InChIKeyPTGCZGAFGQGWLH-XESWYYRISA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.82
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

(3-methyl-6-phenylhexa-1,3,5-trienyl)benzene
CID 618811
(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
1-[(1E,3E)-3-methyl-4-phenylbuta-1,3-dienyl]-4-methylsulfanylbenzene
CID 59296819
N-[(1E,3Z,5Z)-4-methyl-6-phenylhexa-1,3,5-trienyl]aniline
CID 143914074
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
2-(4-phenylbut-3-en-2-ylidene)propanedioic acid
CID 85132493
1,2-bis[(1E,3Z)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 56654891
1,2-bis[(1Z,3E)-3-methyl-4-phenylbuta-1,3-dienyl]benzene
CID 56654558
(E)-[(Z)-4-phenylbut-3-en-2-ylidene]hydrazine
CID 92531836
(NE)-N-(4-phenylbut-3-en-2-ylidene)hydroxylamine
CID 6738838

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine (CID 166740915) is (1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine is CN/C=C(C)\C=C/c1ccccc1.
What is the InChIKey of (1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine?
The InChIKey is PTGCZGAFGQGWLH-XESWYYRISA-N. The full InChI is InChI=1S/C12H15N/c1-11(10-13-2)8-9-12-6-4-3-5-7-12/h3-10,13H,1-2H3/b9-8-,11-10-.
What are the key properties of (1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine?
(1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N,2-dimethyl-4-phenylbuta-1,3-dien-1-amine is sourced from PubChem (CID 166740915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).