N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine

C17H29N — CID 70601286

IUPACN-(1-octa-2,7-dienylcyclohexyl)propan-1-imine
SMILESC=CCCCC=CCC1(/N=C/CC)CCCCC1
InChIInChI=1S/C17H29N/c1-3-5-6-7-8-10-13-17(18-16-4-2)14-11-9-12-15-17/h3,8,10,16H,1,4-7,9,11-15H2,2H3/b10-8?,18-16+
InChIKeyXZWWDDBFRSHHCW-AELUEVPRSA-N
MW247.43 g/mol
LogP5.47
Rot. Bonds8

About N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine

N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine (PubChem CID 70601286) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine.

Molecular Properties

Compound NameN-(1-octa-2,7-dienylcyclohexyl)propan-1-imine
PubChem CID70601286
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-(1-octa-2,7-dienylcyclohexyl)propan-1-imine
SMILESC=CCCCC=CCC1(/N=C/CC)CCCCC1
InChIInChI=1S/C17H29N/c1-3-5-6-7-8-10-13-17(18-16-4-2)14-11-9-12-15-17/h3,8,10,16H,1,4-7,9,11-15H2,2H3/b10-8?,18-16+
InChIKeyXZWWDDBFRSHHCW-AELUEVPRSA-N
XLogP5.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.47
H-Bond Donors ≤ 50
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 N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine?
The IUPAC name of N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine (CID 70601286) is N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine.
What is the SMILES notation for N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine?
The canonical SMILES for N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine is C=CCCCC=CCC1(/N=C/CC)CCCCC1.
What is the InChIKey of N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine?
The InChIKey is XZWWDDBFRSHHCW-AELUEVPRSA-N. The full InChI is InChI=1S/C17H29N/c1-3-5-6-7-8-10-13-17(18-16-4-2)14-11-9-12-15-17/h3,8,10,16H,1,4-7,9,11-15H2,2H3/b10-8?,18-16+.
What are the key properties of N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine?
N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine has a molecular weight of 247.43 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-octa-2,7-dienylcyclohexyl)propan-1-imine is sourced from PubChem (CID 70601286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).