3-cyclohexyloxycyclohexan-1-amine

C12H23NO — CID 79464649

IUPAC3-cyclohexyloxycyclohexan-1-amine
SMILESNC1CCCC(OC2CCCCC2)C1
InChIInChI=1S/C12H23NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h10-12H,1-9,13H2
InChIKeyXCMCYTJBXLGKIH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.61
Rot. Bonds2

About 3-cyclohexyloxycyclohexan-1-amine

3-cyclohexyloxycyclohexan-1-amine (PubChem CID 79464649) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-cyclohexyloxycyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclohexyloxycyclohexan-1-amine
PubChem CID79464649
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-cyclohexyloxycyclohexan-1-amine
SMILESNC1CCCC(OC2CCCCC2)C1
InChIInChI=1S/C12H23NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h10-12H,1-9,13H2
InChIKeyXCMCYTJBXLGKIH-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyloxycyclohexan-1-amine?
The IUPAC name of 3-cyclohexyloxycyclohexan-1-amine (CID 79464649) is 3-cyclohexyloxycyclohexan-1-amine.
What is the SMILES notation for 3-cyclohexyloxycyclohexan-1-amine?
The canonical SMILES for 3-cyclohexyloxycyclohexan-1-amine is NC1CCCC(OC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyloxycyclohexan-1-amine?
The InChIKey is XCMCYTJBXLGKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h10-12H,1-9,13H2.
What are the key properties of 3-cyclohexyloxycyclohexan-1-amine?
3-cyclohexyloxycyclohexan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyloxycyclohexan-1-amine is sourced from PubChem (CID 79464649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).