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

C12H21NO — CID 126844593

IUPAC4-(oxan-2-ylmethylidene)cyclohexan-1-amine
SMILESNC1CCC(=CC2CCCCO2)CC1
InChIInChI=1S/C12H21NO/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h9,11-12H,1-8,13H2/b10-9-
InChIKeyYPUYGCRQHPMAJU-KTKRTIGZSA-N
MW195.31 g/mol
LogP2.38
Rot. Bonds1

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

4-(oxan-2-ylmethylidene)cyclohexan-1-amine (PubChem CID 126844593) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(oxan-2-ylmethylidene)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(oxan-2-ylmethylidene)cyclohexan-1-amine
PubChem CID126844593
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(oxan-2-ylmethylidene)cyclohexan-1-amine
SMILESNC1CCC(=CC2CCCCO2)CC1
InChIInChI=1S/C12H21NO/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h9,11-12H,1-8,13H2/b10-9-
InChIKeyYPUYGCRQHPMAJU-KTKRTIGZSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 4-(oxan-2-ylmethylidene)cyclohexan-1-amine?
The IUPAC name of 4-(oxan-2-ylmethylidene)cyclohexan-1-amine (CID 126844593) is 4-(oxan-2-ylmethylidene)cyclohexan-1-amine.
What is the SMILES notation for 4-(oxan-2-ylmethylidene)cyclohexan-1-amine?
The canonical SMILES for 4-(oxan-2-ylmethylidene)cyclohexan-1-amine is NC1CCC(=CC2CCCCO2)CC1.
What is the InChIKey of 4-(oxan-2-ylmethylidene)cyclohexan-1-amine?
The InChIKey is YPUYGCRQHPMAJU-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H21NO/c13-11-6-4-10(5-7-11)9-12-3-1-2-8-14-12/h9,11-12H,1-8,13H2/b10-9-.
What are the key properties of 4-(oxan-2-ylmethylidene)cyclohexan-1-amine?
4-(oxan-2-ylmethylidene)cyclohexan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethylidene)cyclohexan-1-amine is sourced from PubChem (CID 126844593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).