3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine

C12H21NO — CID 79879823

IUPAC3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine
SMILESNC1CCCC(=CCC2CCCO2)C1
InChIInChI=1S/C12H21NO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h6,11-12H,1-5,7-9,13H2
InChIKeyLHJBNZUDNWANNZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.38
Rot. Bonds2

About 3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine

3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine (PubChem CID 79879823) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine
PubChem CID79879823
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine
SMILESNC1CCCC(=CCC2CCCO2)C1
InChIInChI=1S/C12H21NO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h6,11-12H,1-5,7-9,13H2
InChIKeyLHJBNZUDNWANNZ-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine?
The IUPAC name of 3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine (CID 79879823) is 3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine.
What is the SMILES notation for 3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine?
The canonical SMILES for 3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine is NC1CCCC(=CCC2CCCO2)C1.
What is the InChIKey of 3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine?
The InChIKey is LHJBNZUDNWANNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h6,11-12H,1-5,7-9,13H2.
What are the key properties of 3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine?
3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxolan-2-yl)ethylidene]cyclohexan-1-amine is sourced from PubChem (CID 79879823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).