1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine

C23H41N — CID 123657658

IUPAC1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine
SMILES[H]/N=C(\CCC=CCCCC=CCCCCCCCCC)C1CC1C
InChIInChI=1S/C23H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)22-20-21(22)2/h11-12,16-17,21-22,24H,3-10,13-15,18-20H2,1-2H3/b12-11?,17-16?,24-23+
InChIKeyIEDHITBYZNTYLM-ZSFCZPSUSA-N
MW331.59 g/mol
LogP7.87
Rot. Bonds16

About 1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine

1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine (PubChem CID 123657658) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine
PubChem CID123657658
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC Name1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine
SMILES[H]/N=C(\CCC=CCCCC=CCCCCCCCCC)C1CC1C
InChIInChI=1S/C23H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)22-20-21(22)2/h11-12,16-17,21-22,24H,3-10,13-15,18-20H2,1-2H3/b12-11?,17-16?,24-23+
InChIKeyIEDHITBYZNTYLM-ZSFCZPSUSA-N
XLogP7.87
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine?
The IUPAC name of 1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine (CID 123657658) is 1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine.
What is the SMILES notation for 1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine?
The canonical SMILES for 1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine is [H]/N=C(\CCC=CCCCC=CCCCCCCCCC)C1CC1C.
What is the InChIKey of 1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine?
The InChIKey is IEDHITBYZNTYLM-ZSFCZPSUSA-N. The full InChI is InChI=1S/C23H41N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(24)22-20-21(22)2/h11-12,16-17,21-22,24H,3-10,13-15,18-20H2,1-2H3/b12-11?,17-16?,24-23+.
What are the key properties of 1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine?
1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine has a molecular weight of 331.59 g/mol, XLogP of 7.87, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)nonadeca-4,9-dien-1-imine is sourced from PubChem (CID 123657658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).