N-cyclohexylpentan-2-imine

C11H21N — CID 12538102

IUPACN-cyclohexylpentan-2-imine
SMILESCCC/C(C)=N/C1CCCCC1
InChIInChI=1S/C11H21N/c1-3-7-10(2)12-11-8-5-4-6-9-11/h11H,3-9H2,1-2H3/b12-10+
InChIKeyWQWQMQMLSUWKJP-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.58
Rot. Bonds3

About N-cyclohexylpentan-2-imine

N-cyclohexylpentan-2-imine (PubChem CID 12538102) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-cyclohexylpentan-2-imine.

Molecular Properties

Compound NameN-cyclohexylpentan-2-imine
PubChem CID12538102
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-cyclohexylpentan-2-imine
SMILESCCC/C(C)=N/C1CCCCC1
InChIInChI=1S/C11H21N/c1-3-7-10(2)12-11-8-5-4-6-9-11/h11H,3-9H2,1-2H3/b12-10+
InChIKeyWQWQMQMLSUWKJP-ZRDIBKRKSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpentan-2-imine?
The IUPAC name of N-cyclohexylpentan-2-imine (CID 12538102) is N-cyclohexylpentan-2-imine.
What is the SMILES notation for N-cyclohexylpentan-2-imine?
The canonical SMILES for N-cyclohexylpentan-2-imine is CCC/C(C)=N/C1CCCCC1.
What is the InChIKey of N-cyclohexylpentan-2-imine?
The InChIKey is WQWQMQMLSUWKJP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-3-7-10(2)12-11-8-5-4-6-9-11/h11H,3-9H2,1-2H3/b12-10+.
What are the key properties of N-cyclohexylpentan-2-imine?
N-cyclohexylpentan-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpentan-2-imine is sourced from PubChem (CID 12538102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).