2-nonylcyclohexan-1-imine

C15H29N — CID 70143312

IUPAC2-nonylcyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1CCCCCCCCC
InChIInChI=1S/C15H29N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h14,16H,2-13H2,1H3/b16-15+
InChIKeyBRLOCGGYVXSGKJ-FOCLMDBBSA-N
MW223.40 g/mol
LogP5.34
Rot. Bonds8

About 2-nonylcyclohexan-1-imine

2-nonylcyclohexan-1-imine (PubChem CID 70143312) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 2-nonylcyclohexan-1-imine.

Molecular Properties

Compound Name2-nonylcyclohexan-1-imine
PubChem CID70143312
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name2-nonylcyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1CCCCCCCCC
InChIInChI=1S/C15H29N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h14,16H,2-13H2,1H3/b16-15+
InChIKeyBRLOCGGYVXSGKJ-FOCLMDBBSA-N
XLogP5.34
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.34
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-nonylcyclohexan-1-imine?
The IUPAC name of 2-nonylcyclohexan-1-imine (CID 70143312) is 2-nonylcyclohexan-1-imine.
What is the SMILES notation for 2-nonylcyclohexan-1-imine?
The canonical SMILES for 2-nonylcyclohexan-1-imine is [H]/N=C1\CCCCC1CCCCCCCCC.
What is the InChIKey of 2-nonylcyclohexan-1-imine?
The InChIKey is BRLOCGGYVXSGKJ-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H29N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h14,16H,2-13H2,1H3/b16-15+.
What are the key properties of 2-nonylcyclohexan-1-imine?
2-nonylcyclohexan-1-imine has a molecular weight of 223.40 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonylcyclohexan-1-imine is sourced from PubChem (CID 70143312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).