N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline

C17H17N — CID 144591931

IUPACN-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
SMILESC=C(/C=C\C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17N/c1-3-7-14(2)18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h3-13,18H,2H2,1H3/b7-3-
InChIKeyMOGVSZMUFNXKTA-CLTKARDFSA-N
MW235.33 g/mol
LogP4.86
Rot. Bonds4

About N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline

N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline (PubChem CID 144591931) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline.

Molecular Properties

Compound NameN-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
PubChem CID144591931
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC NameN-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline
SMILESC=C(/C=C\C)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H17N/c1-3-7-14(2)18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h3-13,18H,2H2,1H3/b7-3-
InChIKeyMOGVSZMUFNXKTA-CLTKARDFSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.86
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

N-[1-(ethylideneamino)ethenyl]-4-(4-phenylphenyl)aniline
CID 174040434
ethane;N-[(2E,4E)-5-methyl-4-[(Z)-prop-1-enyl]hepta-2,4,6-trien-3-yl]-4-phenylaniline
CID 145407854
N-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylaniline;(6Z)-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-diene
CID 143811434
N-(4-phenylphenyl)acetamide
CID 19998
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-phenylaniline
CID 142358988
N-[(3Z)-5-bromohexa-1,3,5-trien-2-yl]aniline
CID 156868377
(Z)-N-phenylbut-2-enamide
CID 59909226
(2S)-3-methylidene-1-N,2-N-bis(4-phenylphenyl)cyclopropane-1,2-dicarboxamide
CID 21177977
(3Z,5Z)-4-N-[4-(3-bicyclo[4.1.0]hepta-1(6),2,4-trienyl)phenyl]-3-N-phenylhepta-1,3,5-triene-3,4-diamine
CID 145444791
N-(4-hexa-2,4-dien-3-ylphenyl)-4-(3-phenylphenyl)aniline
CID 123475710
N-[4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]phenyl]-4-phenylaniline
CID 156827248
[(3E,5Z)-hepta-1,3,5-trien-4-yl]-(4-phenylphenyl)phosphane
CID 145229203

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline?
The IUPAC name of N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline (CID 144591931) is N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline.
What is the SMILES notation for N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline?
The canonical SMILES for N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline is C=C(/C=C\C)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline?
The InChIKey is MOGVSZMUFNXKTA-CLTKARDFSA-N. The full InChI is InChI=1S/C17H17N/c1-3-7-14(2)18-17-12-10-16(11-13-17)15-8-5-4-6-9-15/h3-13,18H,2H2,1H3/b7-3-.
What are the key properties of N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline?
N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline has a molecular weight of 235.33 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-penta-1,3-dien-2-yl]-4-phenylaniline is sourced from PubChem (CID 144591931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).