2-(4-propylcyclohexylidene)ethanamine

C11H21N — CID 63969880

IUPAC2-(4-propylcyclohexylidene)ethanamine
SMILESCCCC1CCC(=CCN)CC1
InChIInChI=1S/C11H21N/c1-2-3-10-4-6-11(7-5-10)8-9-12/h8,10H,2-7,9,12H2,1H3/b11-8-
InChIKeyPEICVBLIBQHSJF-FLIBITNWSA-N
MW167.30 g/mol
LogP2.86
Rot. Bonds3

About 2-(4-propylcyclohexylidene)ethanamine

2-(4-propylcyclohexylidene)ethanamine (PubChem CID 63969880) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 2-(4-propylcyclohexylidene)ethanamine.

Molecular Properties

Compound Name2-(4-propylcyclohexylidene)ethanamine
PubChem CID63969880
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name2-(4-propylcyclohexylidene)ethanamine
SMILESCCCC1CCC(=CCN)CC1
InChIInChI=1S/C11H21N/c1-2-3-10-4-6-11(7-5-10)8-9-12/h8,10H,2-7,9,12H2,1H3/b11-8-
InChIKeyPEICVBLIBQHSJF-FLIBITNWSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylcyclohexylidene)ethanamine?
The IUPAC name of 2-(4-propylcyclohexylidene)ethanamine (CID 63969880) is 2-(4-propylcyclohexylidene)ethanamine.
What is the SMILES notation for 2-(4-propylcyclohexylidene)ethanamine?
The canonical SMILES for 2-(4-propylcyclohexylidene)ethanamine is CCCC1CCC(=CCN)CC1.
What is the InChIKey of 2-(4-propylcyclohexylidene)ethanamine?
The InChIKey is PEICVBLIBQHSJF-FLIBITNWSA-N. The full InChI is InChI=1S/C11H21N/c1-2-3-10-4-6-11(7-5-10)8-9-12/h8,10H,2-7,9,12H2,1H3/b11-8-.
What are the key properties of 2-(4-propylcyclohexylidene)ethanamine?
2-(4-propylcyclohexylidene)ethanamine has a molecular weight of 167.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylcyclohexylidene)ethanamine is sourced from PubChem (CID 63969880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).