N-(3,4-dimethylcyclohexyl)oxan-4-amine

C13H25NO — CID 64732595

IUPACN-(3,4-dimethylcyclohexyl)oxan-4-amine
SMILESCC1CCC(NC2CCOCC2)CC1C
InChIInChI=1S/C13H25NO/c1-10-3-4-13(9-11(10)2)14-12-5-7-15-8-6-12/h10-14H,3-9H2,1-2H3
InChIKeyKDGWSBAZTGTIAN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds2

About N-(3,4-dimethylcyclohexyl)oxan-4-amine

N-(3,4-dimethylcyclohexyl)oxan-4-amine (PubChem CID 64732595) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)oxan-4-amine
PubChem CID64732595
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(3,4-dimethylcyclohexyl)oxan-4-amine
SMILESCC1CCC(NC2CCOCC2)CC1C
InChIInChI=1S/C13H25NO/c1-10-3-4-13(9-11(10)2)14-12-5-7-15-8-6-12/h10-14H,3-9H2,1-2H3
InChIKeyKDGWSBAZTGTIAN-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)oxan-4-amine?
The IUPAC name of N-(3,4-dimethylcyclohexyl)oxan-4-amine (CID 64732595) is N-(3,4-dimethylcyclohexyl)oxan-4-amine.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)oxan-4-amine?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)oxan-4-amine is CC1CCC(NC2CCOCC2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)oxan-4-amine?
The InChIKey is KDGWSBAZTGTIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-3-4-13(9-11(10)2)14-12-5-7-15-8-6-12/h10-14H,3-9H2,1-2H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)oxan-4-amine?
N-(3,4-dimethylcyclohexyl)oxan-4-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)oxan-4-amine is sourced from PubChem (CID 64732595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).