2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine

C13H25NO — CID 64762780

IUPAC2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine
SMILESCC1CCC(C)C(N)(C2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-10-3-4-11(2)13(14,9-10)12-5-7-15-8-6-12/h10-12H,3-9,14H2,1-2H3
InChIKeyCFEKBTZEJQQLTC-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.57
Rot. Bonds1

About 2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine

2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine (PubChem CID 64762780) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine
PubChem CID64762780
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine
SMILESCC1CCC(C)C(N)(C2CCOCC2)C1
InChIInChI=1S/C13H25NO/c1-10-3-4-11(2)13(14,9-10)12-5-7-15-8-6-12/h10-12H,3-9,14H2,1-2H3
InChIKeyCFEKBTZEJQQLTC-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine?
The IUPAC name of 2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine (CID 64762780) is 2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine.
What is the SMILES notation for 2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine?
The canonical SMILES for 2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine is CC1CCC(C)C(N)(C2CCOCC2)C1.
What is the InChIKey of 2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine?
The InChIKey is CFEKBTZEJQQLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-3-4-11(2)13(14,9-10)12-5-7-15-8-6-12/h10-12H,3-9,14H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine?
2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine is sourced from PubChem (CID 64762780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).