(E)-2-propyloctadec-9-en-1-amine

C21H43N — CID 87548227

IUPAC(E)-2-propyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C/CCCCCCC(CN)CCC
InChIInChI=1S/C21H43N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21(20-22)18-4-2/h11-12,21H,3-10,13-20,22H2,1-2H3/b12-11+
InChIKeyPDUGUNUVLSFNEJ-VAWYXSNFSA-N
MW309.58 g/mol
LogP7.01
Rot. Bonds17

About (E)-2-propyloctadec-9-en-1-amine

(E)-2-propyloctadec-9-en-1-amine (PubChem CID 87548227) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is (E)-2-propyloctadec-9-en-1-amine.

Molecular Properties

Compound Name(E)-2-propyloctadec-9-en-1-amine
PubChem CID87548227
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name(E)-2-propyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C/CCCCCCC(CN)CCC
InChIInChI=1S/C21H43N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21(20-22)18-4-2/h11-12,21H,3-10,13-20,22H2,1-2H3/b12-11+
InChIKeyPDUGUNUVLSFNEJ-VAWYXSNFSA-N
XLogP7.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-propyloctadec-9-en-1-amine?
The IUPAC name of (E)-2-propyloctadec-9-en-1-amine (CID 87548227) is (E)-2-propyloctadec-9-en-1-amine.
What is the SMILES notation for (E)-2-propyloctadec-9-en-1-amine?
The canonical SMILES for (E)-2-propyloctadec-9-en-1-amine is CCCCCCCC/C=C/CCCCCCC(CN)CCC.
What is the InChIKey of (E)-2-propyloctadec-9-en-1-amine?
The InChIKey is PDUGUNUVLSFNEJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H43N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-21(20-22)18-4-2/h11-12,21H,3-10,13-20,22H2,1-2H3/b12-11+.
What are the key properties of (E)-2-propyloctadec-9-en-1-amine?
(E)-2-propyloctadec-9-en-1-amine has a molecular weight of 309.58 g/mol, XLogP of 7.01, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-propyloctadec-9-en-1-amine is sourced from PubChem (CID 87548227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).