2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol

C14H25NO — CID 63681803

IUPAC2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol
SMILESOC1CCCCC1NCC1CC2CCC1C2
InChIInChI=1S/C14H25NO/c16-14-4-2-1-3-13(14)15-9-12-8-10-5-6-11(12)7-10/h10-16H,1-9H2
InChIKeyXDSIJLGGIMJHLL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.32
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol

2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol (PubChem CID 63681803) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol
PubChem CID63681803
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol
SMILESOC1CCCCC1NCC1CC2CCC1C2
InChIInChI=1S/C14H25NO/c16-14-4-2-1-3-13(14)15-9-12-8-10-5-6-11(12)7-10/h10-16H,1-9H2
InChIKeyXDSIJLGGIMJHLL-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol (CID 63681803) is 2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol is OC1CCCCC1NCC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol?
The InChIKey is XDSIJLGGIMJHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c16-14-4-2-1-3-13(14)15-9-12-8-10-5-6-11(12)7-10/h10-16H,1-9H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol?
2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 63681803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).