4-(oxolan-2-ylmethylidene)cyclohexan-1-amine

C11H19NO — CID 79879471

IUPAC4-(oxolan-2-ylmethylidene)cyclohexan-1-amine
SMILESNC1CCC(=CC2CCCO2)CC1
InChIInChI=1S/C11H19NO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h8,10-11H,1-7,12H2/b9-8-
InChIKeyRWCYROZYLPRGSA-HJWRWDBZSA-N
MW181.28 g/mol
LogP1.99
Rot. Bonds1

About 4-(oxolan-2-ylmethylidene)cyclohexan-1-amine

4-(oxolan-2-ylmethylidene)cyclohexan-1-amine (PubChem CID 79879471) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylidene)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylidene)cyclohexan-1-amine
PubChem CID79879471
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-(oxolan-2-ylmethylidene)cyclohexan-1-amine
SMILESNC1CCC(=CC2CCCO2)CC1
InChIInChI=1S/C11H19NO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h8,10-11H,1-7,12H2/b9-8-
InChIKeyRWCYROZYLPRGSA-HJWRWDBZSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.99
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 4-(oxolan-2-ylmethylidene)cyclohexan-1-amine?
The IUPAC name of 4-(oxolan-2-ylmethylidene)cyclohexan-1-amine (CID 79879471) is 4-(oxolan-2-ylmethylidene)cyclohexan-1-amine.
What is the SMILES notation for 4-(oxolan-2-ylmethylidene)cyclohexan-1-amine?
The canonical SMILES for 4-(oxolan-2-ylmethylidene)cyclohexan-1-amine is NC1CCC(=CC2CCCO2)CC1.
What is the InChIKey of 4-(oxolan-2-ylmethylidene)cyclohexan-1-amine?
The InChIKey is RWCYROZYLPRGSA-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H19NO/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h8,10-11H,1-7,12H2/b9-8-.
What are the key properties of 4-(oxolan-2-ylmethylidene)cyclohexan-1-amine?
4-(oxolan-2-ylmethylidene)cyclohexan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylidene)cyclohexan-1-amine is sourced from PubChem (CID 79879471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).