(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine

C12H15N — CID 143300629

IUPAC(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
SMILESCC(C)=C/C=C(\N)c1ccccc1
InChIInChI=1S/C12H15N/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-9H,13H2,1-2H3/b12-9-
InChIKeyDJMJWJGKUBIUIT-XFXZXTDPSA-N
MW173.26 g/mol
LogP2.95
Rot. Bonds2

About (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine

(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine (PubChem CID 143300629) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
PubChem CID143300629
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
SMILESCC(C)=C/C=C(\N)c1ccccc1
InChIInChI=1S/C12H15N/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-9H,13H2,1-2H3/b12-9-
InChIKeyDJMJWJGKUBIUIT-XFXZXTDPSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.95
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

ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine
CID 145000931
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
CID 67619754
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
(Z)-3-(1-aminoethenylimino)-1-phenylprop-1-en-1-amine
CID 163493249
(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine
CID 144815854
methyl (Z)-4-amino-2-oxo-4-phenylbut-3-enoate
CID 13165118
(Z)-2-methylsulfonyl-1-phenylethenamine
CID 13299506
(Z)-1-phenylpent-1-en-1-amine
CID 22065568
sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
CID 173426238
acetyl chloride;benzamide
CID 160666659
3-amino-3-phenylprop-2-enethioamide
CID 71410978

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
The IUPAC name of (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine (CID 143300629) is (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine is CC(C)=C/C=C(\N)c1ccccc1.
What is the InChIKey of (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
The InChIKey is DJMJWJGKUBIUIT-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H15N/c1-10(2)8-9-12(13)11-6-4-3-5-7-11/h3-9H,13H2,1-2H3/b12-9-.
What are the key properties of (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine?
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine is sourced from PubChem (CID 143300629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).