(Z)-N-(propylideneamino)octadec-9-en-1-amine

C21H42N2 — CID 173363504

IUPAC(Z)-N-(propylideneamino)octadec-9-en-1-amine
SMILESCCC=NNCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C21H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22-20-4-2/h11-12,20,23H,3-10,13-19,21H2,1-2H3/b12-11-,22-20?
InChIKeyFIRCFRBPYQTTCN-RDJSYKTOSA-N
MW322.58 g/mol
LogP7.01
Rot. Bonds18

About (Z)-N-(propylideneamino)octadec-9-en-1-amine

(Z)-N-(propylideneamino)octadec-9-en-1-amine (PubChem CID 173363504) has the molecular formula C21H42N2 and a molecular weight of 322.58 g/mol. Its IUPAC name is (Z)-N-(propylideneamino)octadec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(propylideneamino)octadec-9-en-1-amine
PubChem CID173363504
Molecular FormulaC21H42N2
Molecular Weight322.58 g/mol
Exact Mass322.33
IUPAC Name(Z)-N-(propylideneamino)octadec-9-en-1-amine
SMILESCCC=NNCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C21H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22-20-4-2/h11-12,20,23H,3-10,13-19,21H2,1-2H3/b12-11-,22-20?
InChIKeyFIRCFRBPYQTTCN-RDJSYKTOSA-N
XLogP7.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-hexadecylideneamino]hexadecan-1-amine
CID 91745707
(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
(Z)-tricos-11-ene
CID 5356790
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
(24Z)-hexatriaconta-9,24-diene
CID 173127472
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(propylideneamino)octadec-9-en-1-amine?
The IUPAC name of (Z)-N-(propylideneamino)octadec-9-en-1-amine (CID 173363504) is (Z)-N-(propylideneamino)octadec-9-en-1-amine.
What is the SMILES notation for (Z)-N-(propylideneamino)octadec-9-en-1-amine?
The canonical SMILES for (Z)-N-(propylideneamino)octadec-9-en-1-amine is CCC=NNCCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-(propylideneamino)octadec-9-en-1-amine?
The InChIKey is FIRCFRBPYQTTCN-RDJSYKTOSA-N. The full InChI is InChI=1S/C21H42N2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-22-20-4-2/h11-12,20,23H,3-10,13-19,21H2,1-2H3/b12-11-,22-20?.
What are the key properties of (Z)-N-(propylideneamino)octadec-9-en-1-amine?
(Z)-N-(propylideneamino)octadec-9-en-1-amine has a molecular weight of 322.58 g/mol, XLogP of 7.01, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(propylideneamino)octadec-9-en-1-amine is sourced from PubChem (CID 173363504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).