(E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine

C20H40N2 — CID 87608116

IUPAC(E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCN/C=C/N
InChIInChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,18,20,22H,2-8,11-17,19,21H2,1H3/b10-9-,20-18+
InChIKeyGLWLCVWBLKEYRJ-ALYXTMOOSA-N
MW308.55 g/mol
LogP6.04
Rot. Bonds17

About (E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine

(E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine (PubChem CID 87608116) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is (E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine
PubChem CID87608116
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC Name(E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine
SMILESCCCCCCCC/C=C\CCCCCCCCN/C=C/N
InChIInChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,18,20,22H,2-8,11-17,19,21H2,1H3/b10-9-,20-18+
InChIKeyGLWLCVWBLKEYRJ-ALYXTMOOSA-N
XLogP6.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.55
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-oct-1-enylhexane-1,6-diamine
CID 139771497
N-[(Z)-octadec-9-enyl]formamide;trihydrochloride
CID 174550663
(Z)-N-hexadecyloctadec-9-en-1-amine
CID 86624385
(Z)-N-[(Z)-octadec-9-enyl]henicos-12-en-1-amine
CID 146653047
(E)-N-[(E)-heptadec-8-enyl]heptadec-8-en-1-amine
CID 162361236
N'-[(E)-tricos-1-enyl]ethane-1,2-diamine
CID 22930928
N'-[(E)-hexadec-1-enyl]ethane-1,2-diamine
CID 22930941
(E)-dec-1-en-1-amine
CID 21420709
N-tetradecylprop-1-ene-1,3-diamine
CID 173093162
N-tridecylprop-1-ene-1,3-diamine
CID 173118910
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine?
The IUPAC name of (E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine (CID 87608116) is (E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine.
What is the SMILES notation for (E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine?
The canonical SMILES for (E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine is CCCCCCCC/C=C\CCCCCCCCN/C=C/N.
What is the InChIKey of (E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine?
The InChIKey is GLWLCVWBLKEYRJ-ALYXTMOOSA-N. The full InChI is InChI=1S/C20H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,18,20,22H,2-8,11-17,19,21H2,1H3/b10-9-,20-18+.
What are the key properties of (E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine?
(E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine has a molecular weight of 308.55 g/mol, XLogP of 6.04, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(Z)-octadec-9-enyl]ethene-1,2-diamine is sourced from PubChem (CID 87608116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).