ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine

C20H25N — CID 145000931

IUPACethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine
SMILESCC.CC(C)=C/C=C(\N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H19N.C2H6/c1-14(2)11-12-18(19)17-10-6-9-16(13-17)15-7-4-3-5-8-15;1-2/h3-13H,19H2,1-2H3;1-2H3/b18-12-;
InChIKeyLJUBQBZTZOSQBP-UWRQUICRSA-N
MW279.43 g/mol
LogP5.65
Rot. Bonds3

About ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine

ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine (PubChem CID 145000931) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine
PubChem CID145000931
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Nameethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine
SMILESCC.CC(C)=C/C=C(\N)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H19N.C2H6/c1-14(2)11-12-18(19)17-10-6-9-16(13-17)15-7-4-3-5-8-15;1-2/h3-13H,19H2,1-2H3;1-2H3/b18-12-;
InChIKeyLJUBQBZTZOSQBP-UWRQUICRSA-N
XLogP5.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.43
LogP ≤ 55.65
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

(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 143300629
3-phenylbenzamide;phosphoric acid
CID 130454344
3-phenyl-N'-prop-1-en-2-ylbenzenecarboximidamide
CID 142515838
bis(1,3-diphenylbenzene);ethane
CID 144938975
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
CID 145452335
N'-hydroxy-3-phenylbenzenecarboximidamide
CID 6023857
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
1-azulen-2-ylethanone
CID 15255141
1,1'-biphenyl;ethane;bis(1-phenylethanone)
CID 90714339
ethane;tetrakis(pentane);bis(1-(3-phenylphenyl)ethanone);propane;dihydrate
CID 160571189
1,3-diphenylbenzene;ethane;methane
CID 171489435

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine?
The IUPAC name of ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine (CID 145000931) is ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine.
What is the SMILES notation for ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine?
The canonical SMILES for ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine is CC.CC(C)=C/C=C(\N)c1cccc(-c2ccccc2)c1.
What is the InChIKey of ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine?
The InChIKey is LJUBQBZTZOSQBP-UWRQUICRSA-N. The full InChI is InChI=1S/C18H19N.C2H6/c1-14(2)11-12-18(19)17-10-6-9-16(13-17)15-7-4-3-5-8-15;1-2/h3-13H,19H2,1-2H3;1-2H3/b18-12-;.
What are the key properties of ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine?
ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine has a molecular weight of 279.43 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z)-4-methyl-1-(3-phenylphenyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 145000931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).