(Z)-N-oct-1-en-2-yloctadec-9-en-1-amine

C26H51N — CID 138622393

IUPAC(Z)-N-oct-1-en-2-yloctadec-9-en-1-amine
SMILESC=C(CCCCCC)NCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C26H51N/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25-27-26(3)24-22-9-7-5-2/h14-15,27H,3-13,16-25H2,1-2H3/b15-14-
InChIKeyDLCGKDABCDAGRF-PFONDFGASA-N
MW377.70 g/mol
LogP9.10
Rot. Bonds22

About (Z)-N-oct-1-en-2-yloctadec-9-en-1-amine

(Z)-N-oct-1-en-2-yloctadec-9-en-1-amine (PubChem CID 138622393) has the molecular formula C26H51N and a molecular weight of 377.70 g/mol. Its IUPAC name is (Z)-N-oct-1-en-2-yloctadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N-oct-1-en-2-yloctadec-9-en-1-amine
PubChem CID138622393
Molecular FormulaC26H51N
Molecular Weight377.70 g/mol
Exact Mass377.40
IUPAC Name(Z)-N-oct-1-en-2-yloctadec-9-en-1-amine
SMILESC=C(CCCCCC)NCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C26H51N/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25-27-26(3)24-22-9-7-5-2/h14-15,27H,3-13,16-25H2,1-2H3/b15-14-
InChIKeyDLCGKDABCDAGRF-PFONDFGASA-N
XLogP9.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.70
LogP ≤ 59.10
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 (Z)-N-oct-1-en-2-yloctadec-9-en-1-amine?
The IUPAC name of (Z)-N-oct-1-en-2-yloctadec-9-en-1-amine (CID 138622393) is (Z)-N-oct-1-en-2-yloctadec-9-en-1-amine.
What is the SMILES notation for (Z)-N-oct-1-en-2-yloctadec-9-en-1-amine?
The canonical SMILES for (Z)-N-oct-1-en-2-yloctadec-9-en-1-amine is C=C(CCCCCC)NCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-oct-1-en-2-yloctadec-9-en-1-amine?
The InChIKey is DLCGKDABCDAGRF-PFONDFGASA-N. The full InChI is InChI=1S/C26H51N/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25-27-26(3)24-22-9-7-5-2/h14-15,27H,3-13,16-25H2,1-2H3/b15-14-.
What are the key properties of (Z)-N-oct-1-en-2-yloctadec-9-en-1-amine?
(Z)-N-oct-1-en-2-yloctadec-9-en-1-amine has a molecular weight of 377.70 g/mol, XLogP of 9.10, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-oct-1-en-2-yloctadec-9-en-1-amine is sourced from PubChem (CID 138622393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).