N-(5-methylidenehept-6-enyl)-N-phenylaniline

C20H23N — CID 121412697

IUPACN-(5-methylidenehept-6-enyl)-N-phenylaniline
SMILESC=CC(=C)CCCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-3-18(2)12-10-11-17-21(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h3-9,13-16H,1-2,10-12,17H2
InChIKeyRSWAJWUBVSLITB-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.74
Rot. Bonds8

About N-(5-methylidenehept-6-enyl)-N-phenylaniline

N-(5-methylidenehept-6-enyl)-N-phenylaniline (PubChem CID 121412697) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(5-methylidenehept-6-enyl)-N-phenylaniline.

Molecular Properties

Compound NameN-(5-methylidenehept-6-enyl)-N-phenylaniline
PubChem CID121412697
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC NameN-(5-methylidenehept-6-enyl)-N-phenylaniline
SMILESC=CC(=C)CCCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H23N/c1-3-18(2)12-10-11-17-21(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h3-9,13-16H,1-2,10-12,17H2
InChIKeyRSWAJWUBVSLITB-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylidenehept-6-enyl)-N-phenylaniline?
The IUPAC name of N-(5-methylidenehept-6-enyl)-N-phenylaniline (CID 121412697) is N-(5-methylidenehept-6-enyl)-N-phenylaniline.
What is the SMILES notation for N-(5-methylidenehept-6-enyl)-N-phenylaniline?
The canonical SMILES for N-(5-methylidenehept-6-enyl)-N-phenylaniline is C=CC(=C)CCCCN(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(5-methylidenehept-6-enyl)-N-phenylaniline?
The InChIKey is RSWAJWUBVSLITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c1-3-18(2)12-10-11-17-21(19-13-6-4-7-14-19)20-15-8-5-9-16-20/h3-9,13-16H,1-2,10-12,17H2.
What are the key properties of N-(5-methylidenehept-6-enyl)-N-phenylaniline?
N-(5-methylidenehept-6-enyl)-N-phenylaniline has a molecular weight of 277.41 g/mol, XLogP of 5.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylidenehept-6-enyl)-N-phenylaniline is sourced from PubChem (CID 121412697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).