(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine

C14H19N — CID 144815854

IUPAC(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine
SMILESCCC(C)/C=C\C=C(/N)c1ccccc1
InChIInChI=1S/C14H19N/c1-3-12(2)8-7-11-14(15)13-9-5-4-6-10-13/h4-12H,3,15H2,1-2H3/b8-7-,14-11-
InChIKeyZRVBYGZUBPWHSE-OOKLLDCXSA-N
MW201.31 g/mol
LogP3.59
Rot. Bonds4

About (1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine

(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine (PubChem CID 144815854) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine
PubChem CID144815854
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine
SMILESCCC(C)/C=C\C=C(/N)c1ccccc1
InChIInChI=1S/C14H19N/c1-3-12(2)8-7-11-14(15)13-9-5-4-6-10-13/h4-12H,3,15H2,1-2H3/b8-7-,14-11-
InChIKeyZRVBYGZUBPWHSE-OOKLLDCXSA-N
XLogP3.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.59
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

4-methylhex-2-en-2-ylbenzene
CID 76543432
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 143300629
(Z)-1-phenylpent-1-en-1-amine
CID 22065568
2-butan-2-yl-6-methylocta-2,4-dien-1-amine
CID 88882583
(Z)-1,3-diphenylbut-1-en-1-amine
CID 142293651
N'-butan-2-ylbenzenecarboximidamide
CID 63174298
10-ethynyl-3-methyl-N-[(4E,6Z)-8-methyldeca-1,4,6-trien-4-yl]-9-[(Z)-prop-1-enyl]cyclodeca-1,3,5,7,9-pentaen-1-amine
CID 142873318
(Z)-1-phenylethene-1,2-diamine;1-phenylmethoxybutan-2-amine
CID 143293123
[(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene
CID 59892266
benzamide;2,3-dimethylbutane
CID 162214835
[(E)-4-methylhex-2-en-3-yl]benzene
CID 12531537
ethane;[(E)-4-methylhex-2-en-3-yl]benzene
CID 167452677

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine (CID 144815854) is (1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine is CCC(C)/C=C\C=C(/N)c1ccccc1.
What is the InChIKey of (1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine?
The InChIKey is ZRVBYGZUBPWHSE-OOKLLDCXSA-N. The full InChI is InChI=1S/C14H19N/c1-3-12(2)8-7-11-14(15)13-9-5-4-6-10-13/h4-12H,3,15H2,1-2H3/b8-7-,14-11-.
What are the key properties of (1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine?
(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine is sourced from PubChem (CID 144815854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).