N-cyclohexylbutan-1-imine

C10H19N — CID 573448

IUPACN-cyclohexylbutan-1-imine
SMILESCCC/C=N/C1CCCCC1
InChIInChI=1S/C10H19N/c1-2-3-9-11-10-7-5-4-6-8-10/h9-10H,2-8H2,1H3/b11-9+
InChIKeyFHZIRAKRPYIEQD-PKNBQFBNSA-N
MW153.27 g/mol
LogP3.19
Rot. Bonds3

About N-cyclohexylbutan-1-imine

N-cyclohexylbutan-1-imine (PubChem CID 573448) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-cyclohexylbutan-1-imine.

Molecular Properties

Compound NameN-cyclohexylbutan-1-imine
PubChem CID573448
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-cyclohexylbutan-1-imine
SMILESCCC/C=N/C1CCCCC1
InChIInChI=1S/C10H19N/c1-2-3-9-11-10-7-5-4-6-8-10/h9-10H,2-8H2,1H3/b11-9+
InChIKeyFHZIRAKRPYIEQD-PKNBQFBNSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.19
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-cyclohexylbutan-1-imine?
The IUPAC name of N-cyclohexylbutan-1-imine (CID 573448) is N-cyclohexylbutan-1-imine.
What is the SMILES notation for N-cyclohexylbutan-1-imine?
The canonical SMILES for N-cyclohexylbutan-1-imine is CCC/C=N/C1CCCCC1.
What is the InChIKey of N-cyclohexylbutan-1-imine?
The InChIKey is FHZIRAKRPYIEQD-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19N/c1-2-3-9-11-10-7-5-4-6-8-10/h9-10H,2-8H2,1H3/b11-9+.
What are the key properties of N-cyclohexylbutan-1-imine?
N-cyclohexylbutan-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylbutan-1-imine is sourced from PubChem (CID 573448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).