N-butyl-1-cyclohexylmethanimine

C11H21N — CID 11095011

IUPACN-butyl-1-cyclohexylmethanimine
SMILESCCCC/N=C/C1CCCCC1
InChIInChI=1S/C11H21N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h10-11H,2-9H2,1H3/b12-10+
InChIKeyQIEBZFVTVIGJHE-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.44
Rot. Bonds4

About N-butyl-1-cyclohexylmethanimine

N-butyl-1-cyclohexylmethanimine (PubChem CID 11095011) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-butyl-1-cyclohexylmethanimine.

Molecular Properties

Compound NameN-butyl-1-cyclohexylmethanimine
PubChem CID11095011
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-butyl-1-cyclohexylmethanimine
SMILESCCCC/N=C/C1CCCCC1
InChIInChI=1S/C11H21N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h10-11H,2-9H2,1H3/b12-10+
InChIKeyQIEBZFVTVIGJHE-ZRDIBKRKSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.44
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'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyclohexylmethanimine?
The IUPAC name of N-butyl-1-cyclohexylmethanimine (CID 11095011) is N-butyl-1-cyclohexylmethanimine.
What is the SMILES notation for N-butyl-1-cyclohexylmethanimine?
The canonical SMILES for N-butyl-1-cyclohexylmethanimine is CCCC/N=C/C1CCCCC1.
What is the InChIKey of N-butyl-1-cyclohexylmethanimine?
The InChIKey is QIEBZFVTVIGJHE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-9-12-10-11-7-5-4-6-8-11/h10-11H,2-9H2,1H3/b12-10+.
What are the key properties of N-butyl-1-cyclohexylmethanimine?
N-butyl-1-cyclohexylmethanimine has a molecular weight of 167.30 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclohexylmethanimine is sourced from PubChem (CID 11095011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).