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

C24H47N — CID 138620359

IUPAC(Z)-N-hex-1-en-2-yloctadec-9-en-1-amine
SMILESC=C(CCCC)NCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C24H47N/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(3)22-7-5-2/h13-14,25H,3-12,15-23H2,1-2H3/b14-13-
InChIKeyWQLIMCYIIDNDSD-YPKPFQOOSA-N
MW349.65 g/mol
LogP8.32
Rot. Bonds20

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

(Z)-N-hex-1-en-2-yloctadec-9-en-1-amine (PubChem CID 138620359) has the molecular formula C24H47N and a molecular weight of 349.65 g/mol. Its IUPAC name is (Z)-N-hex-1-en-2-yloctadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N-hex-1-en-2-yloctadec-9-en-1-amine
PubChem CID138620359
Molecular FormulaC24H47N
Molecular Weight349.65 g/mol
Exact Mass349.37
IUPAC Name(Z)-N-hex-1-en-2-yloctadec-9-en-1-amine
SMILESC=C(CCCC)NCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C24H47N/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(3)22-7-5-2/h13-14,25H,3-12,15-23H2,1-2H3/b14-13-
InChIKeyWQLIMCYIIDNDSD-YPKPFQOOSA-N
XLogP8.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.65
LogP ≤ 58.32
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-hex-1-en-2-yloctadec-9-en-1-amine?
The IUPAC name of (Z)-N-hex-1-en-2-yloctadec-9-en-1-amine (CID 138620359) is (Z)-N-hex-1-en-2-yloctadec-9-en-1-amine.
What is the SMILES notation for (Z)-N-hex-1-en-2-yloctadec-9-en-1-amine?
The canonical SMILES for (Z)-N-hex-1-en-2-yloctadec-9-en-1-amine is C=C(CCCC)NCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-hex-1-en-2-yloctadec-9-en-1-amine?
The InChIKey is WQLIMCYIIDNDSD-YPKPFQOOSA-N. The full InChI is InChI=1S/C24H47N/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-24(3)22-7-5-2/h13-14,25H,3-12,15-23H2,1-2H3/b14-13-.
What are the key properties of (Z)-N-hex-1-en-2-yloctadec-9-en-1-amine?
(Z)-N-hex-1-en-2-yloctadec-9-en-1-amine has a molecular weight of 349.65 g/mol, XLogP of 8.32, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-hex-1-en-2-yloctadec-9-en-1-amine is sourced from PubChem (CID 138620359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).