N-[(Z)-octadec-9-enyl]oxiran-2-amine

C20H39NO — CID 87359514

IUPACN-[(Z)-octadec-9-enyl]oxiran-2-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNC1CO1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20-19-22-20/h9-10,20-21H,2-8,11-19H2,1H3/b10-9-
InChIKeyOGMBIGYMXGGNQB-KTKRTIGZSA-N
MW309.54 g/mol
LogP5.97
Rot. Bonds17

About N-[(Z)-octadec-9-enyl]oxiran-2-amine

N-[(Z)-octadec-9-enyl]oxiran-2-amine (PubChem CID 87359514) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is N-[(Z)-octadec-9-enyl]oxiran-2-amine.

Molecular Properties

Compound NameN-[(Z)-octadec-9-enyl]oxiran-2-amine
PubChem CID87359514
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC NameN-[(Z)-octadec-9-enyl]oxiran-2-amine
SMILESCCCCCCCC/C=C\CCCCCCCCNC1CO1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20-19-22-20/h9-10,20-21H,2-8,11-19H2,1H3/b10-9-
InChIKeyOGMBIGYMXGGNQB-KTKRTIGZSA-N
XLogP5.97
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tetradecyloxiran-2-amine
CID 19419381
2-methyloxirane;N-tetradecyloxiran-2-amine
CID 19419380
(Z)-N-phosphanyloctadec-9-en-1-amine
CID 175310828
(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
2-nonadec-10-enyloxirane
CID 54194145
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-octadec-9-enyl]oxiran-2-amine?
The IUPAC name of N-[(Z)-octadec-9-enyl]oxiran-2-amine (CID 87359514) is N-[(Z)-octadec-9-enyl]oxiran-2-amine.
What is the SMILES notation for N-[(Z)-octadec-9-enyl]oxiran-2-amine?
The canonical SMILES for N-[(Z)-octadec-9-enyl]oxiran-2-amine is CCCCCCCC/C=C\CCCCCCCCNC1CO1.
What is the InChIKey of N-[(Z)-octadec-9-enyl]oxiran-2-amine?
The InChIKey is OGMBIGYMXGGNQB-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20-19-22-20/h9-10,20-21H,2-8,11-19H2,1H3/b10-9-.
What are the key properties of N-[(Z)-octadec-9-enyl]oxiran-2-amine?
N-[(Z)-octadec-9-enyl]oxiran-2-amine has a molecular weight of 309.54 g/mol, XLogP of 5.97, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-octadec-9-enyl]oxiran-2-amine is sourced from PubChem (CID 87359514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).