N-cyclohexyl-3-methylbutan-2-imine

C11H21N — CID 557874

IUPACN-cyclohexyl-3-methylbutan-2-imine
SMILESC/C(=N\C1CCCCC1)C(C)C
InChIInChI=1S/C11H21N/c1-9(2)10(3)12-11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3/b12-10+
InChIKeyKLDSEMWYCJYLPX-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.44
Rot. Bonds2

About N-cyclohexyl-3-methylbutan-2-imine

N-cyclohexyl-3-methylbutan-2-imine (PubChem CID 557874) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-cyclohexyl-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-3-methylbutan-2-imine
PubChem CID557874
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-cyclohexyl-3-methylbutan-2-imine
SMILESC/C(=N\C1CCCCC1)C(C)C
InChIInChI=1S/C11H21N/c1-9(2)10(3)12-11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3/b12-10+
InChIKeyKLDSEMWYCJYLPX-ZRDIBKRKSA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methylbutan-2-imine?
The IUPAC name of N-cyclohexyl-3-methylbutan-2-imine (CID 557874) is N-cyclohexyl-3-methylbutan-2-imine.
What is the SMILES notation for N-cyclohexyl-3-methylbutan-2-imine?
The canonical SMILES for N-cyclohexyl-3-methylbutan-2-imine is C/C(=N\C1CCCCC1)C(C)C.
What is the InChIKey of N-cyclohexyl-3-methylbutan-2-imine?
The InChIKey is KLDSEMWYCJYLPX-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)10(3)12-11-7-5-4-6-8-11/h9,11H,4-8H2,1-3H3/b12-10+.
What are the key properties of N-cyclohexyl-3-methylbutan-2-imine?
N-cyclohexyl-3-methylbutan-2-imine has a molecular weight of 167.30 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methylbutan-2-imine is sourced from PubChem (CID 557874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).