1-cyclohexyl-N-propylethanimine

C11H21N — CID 11095012

IUPAC1-cyclohexyl-N-propylethanimine
SMILESCCC/N=C(\C)C1CCCCC1
InChIInChI=1S/C11H21N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h11H,3-9H2,1-2H3/b12-10+
InChIKeyZZYSMLIFDRLGPT-ZRDIBKRKSA-N
MW167.30 g/mol
LogP3.44
Rot. Bonds3

About 1-cyclohexyl-N-propylethanimine

1-cyclohexyl-N-propylethanimine (PubChem CID 11095012) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-cyclohexyl-N-propylethanimine.

Molecular Properties

Compound Name1-cyclohexyl-N-propylethanimine
PubChem CID11095012
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-cyclohexyl-N-propylethanimine
SMILESCCC/N=C(\C)C1CCCCC1
InChIInChI=1S/C11H21N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h11H,3-9H2,1-2H3/b12-10+
InChIKeyZZYSMLIFDRLGPT-ZRDIBKRKSA-N
XLogP3.44
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 ≤ 53.44
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 1-cyclohexyl-N-propylethanimine?
The IUPAC name of 1-cyclohexyl-N-propylethanimine (CID 11095012) is 1-cyclohexyl-N-propylethanimine.
What is the SMILES notation for 1-cyclohexyl-N-propylethanimine?
The canonical SMILES for 1-cyclohexyl-N-propylethanimine is CCC/N=C(\C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-propylethanimine?
The InChIKey is ZZYSMLIFDRLGPT-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H21N/c1-3-9-12-10(2)11-7-5-4-6-8-11/h11H,3-9H2,1-2H3/b12-10+.
What are the key properties of 1-cyclohexyl-N-propylethanimine?
1-cyclohexyl-N-propylethanimine has a molecular weight of 167.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-propylethanimine is sourced from PubChem (CID 11095012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).