(Z)-2-aminooctadec-9-enoyl azide

C18H34N4O — CID 155784105

IUPAC(Z)-2-aminooctadec-9-enoyl azide
SMILESCCCCCCCC/C=C\CCCCCCC(N)C(=O)N=[N+]=[N-]
InChIInChI=1S/C18H34N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(23)21-22-20/h9-10,17H,2-8,11-16,19H2,1H3/b10-9-
InChIKeyJORNBVHTNUDHIW-KTKRTIGZSA-N
MW322.50 g/mol
LogP5.80
Rot. Bonds15

About (Z)-2-aminooctadec-9-enoyl azide

(Z)-2-aminooctadec-9-enoyl azide (PubChem CID 155784105) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is (Z)-2-aminooctadec-9-enoyl azide.

Molecular Properties

Compound Name(Z)-2-aminooctadec-9-enoyl azide
PubChem CID155784105
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name(Z)-2-aminooctadec-9-enoyl azide
SMILESCCCCCCCC/C=C\CCCCCCC(N)C(=O)N=[N+]=[N-]
InChIInChI=1S/C18H34N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(23)21-22-20/h9-10,17H,2-8,11-16,19H2,1H3/b10-9-
InChIKeyJORNBVHTNUDHIW-KTKRTIGZSA-N
XLogP5.80
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-aminooctadec-9-enamide
CID 56663673
methyl (Z)-2-aminooctadec-9-enoate
CID 160622893
methyl (Z)-2-aminohexadec-9-enoate
CID 150010040
heptatriaconta-6,28-dien-19-amine
CID 123539967
methyl (E)-2-aminododec-6-enoate
CID 175078394
2-hexadecylicos-11-enamide
CID 173011844
2-aminoicosa-5,8,11,14-tetraenoic acid
CID 91406143
12-azidooctadec-9-enoic acid
CID 53422645
2-[(Z)-heptadec-10-enyl]propanedioic acid
CID 174772234
2-hexadec-7-enylpropanedioic acid
CID 173063889
2-[(Z)-hexadec-7-enyl]propanedioic acid
CID 87263289
2-hexadecyloctadec-9-enoyl 2-hexadecyloctadec-9-enoate
CID 173425586

Frequently Asked Questions

What is the IUPAC name of (Z)-2-aminooctadec-9-enoyl azide?
The IUPAC name of (Z)-2-aminooctadec-9-enoyl azide (CID 155784105) is (Z)-2-aminooctadec-9-enoyl azide.
What is the SMILES notation for (Z)-2-aminooctadec-9-enoyl azide?
The canonical SMILES for (Z)-2-aminooctadec-9-enoyl azide is CCCCCCCC/C=C\CCCCCCC(N)C(=O)N=[N+]=[N-].
What is the InChIKey of (Z)-2-aminooctadec-9-enoyl azide?
The InChIKey is JORNBVHTNUDHIW-KTKRTIGZSA-N. The full InChI is InChI=1S/C18H34N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(23)21-22-20/h9-10,17H,2-8,11-16,19H2,1H3/b10-9-.
What are the key properties of (Z)-2-aminooctadec-9-enoyl azide?
(Z)-2-aminooctadec-9-enoyl azide has a molecular weight of 322.50 g/mol, XLogP of 5.80, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-aminooctadec-9-enoyl azide is sourced from PubChem (CID 155784105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).