10-phenyloctadec-9-en-9-amine

C24H41N — CID 140615449

IUPAC10-phenyloctadec-9-en-9-amine
SMILESCCCCCCCCC(N)=C(CCCCCCCC)c1ccccc1
InChIInChI=1S/C24H41N/c1-3-5-7-9-11-16-20-23(22-18-14-13-15-19-22)24(25)21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21,25H2,1-2H3
InChIKeyPHNBTKTWRNDUFF-UHFFFAOYSA-N
MW343.60 g/mol
LogP7.86
Rot. Bonds15

About 10-phenyloctadec-9-en-9-amine

10-phenyloctadec-9-en-9-amine (PubChem CID 140615449) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is 10-phenyloctadec-9-en-9-amine.

Molecular Properties

Compound Name10-phenyloctadec-9-en-9-amine
PubChem CID140615449
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC Name10-phenyloctadec-9-en-9-amine
SMILESCCCCCCCCC(N)=C(CCCCCCCC)c1ccccc1
InChIInChI=1S/C24H41N/c1-3-5-7-9-11-16-20-23(22-18-14-13-15-19-22)24(25)21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21,25H2,1-2H3
InChIKeyPHNBTKTWRNDUFF-UHFFFAOYSA-N
XLogP7.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 57.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-phenyloctadec-9-en-9-amine?
The IUPAC name of 10-phenyloctadec-9-en-9-amine (CID 140615449) is 10-phenyloctadec-9-en-9-amine.
What is the SMILES notation for 10-phenyloctadec-9-en-9-amine?
The canonical SMILES for 10-phenyloctadec-9-en-9-amine is CCCCCCCCC(N)=C(CCCCCCCC)c1ccccc1.
What is the InChIKey of 10-phenyloctadec-9-en-9-amine?
The InChIKey is PHNBTKTWRNDUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N/c1-3-5-7-9-11-16-20-23(22-18-14-13-15-19-22)24(25)21-17-12-10-8-6-4-2/h13-15,18-19H,3-12,16-17,20-21,25H2,1-2H3.
What are the key properties of 10-phenyloctadec-9-en-9-amine?
10-phenyloctadec-9-en-9-amine has a molecular weight of 343.60 g/mol, XLogP of 7.86, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyloctadec-9-en-9-amine is sourced from PubChem (CID 140615449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).