N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C14H25NO — CID 71916925

IUPACN-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC1CCCC(C)C1NC1CC2CCC1O2
InChIInChI=1S/C14H25NO/c1-9-4-3-5-10(2)14(9)15-12-8-11-6-7-13(12)16-11/h9-15H,3-8H2,1-2H3
InChIKeyRFTBWBCXCORDQW-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds2

About N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 71916925) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID71916925
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCC1CCCC(C)C1NC1CC2CCC1O2
InChIInChI=1S/C14H25NO/c1-9-4-3-5-10(2)14(9)15-12-8-11-6-7-13(12)16-11/h9-15H,3-8H2,1-2H3
InChIKeyRFTBWBCXCORDQW-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 71916925) is N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine is CC1CCCC(C)C1NC1CC2CCC1O2.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is RFTBWBCXCORDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-9-4-3-5-10(2)14(9)15-12-8-11-6-7-13(12)16-11/h9-15H,3-8H2,1-2H3.
What are the key properties of N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 71916925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).