3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol

C15H24N2O — CID 67363200

IUPAC3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccccn2)CC1(C)C
InChIInChI=1S/C15H24N2O/c1-12-7-8-15(18,10-14(12,2)3)11-17-13-6-4-5-9-16-13/h4-6,9,12,18H,7-8,10-11H2,1-3H3,(H,16,17)
InChIKeyBTTGDFIZVBCKLI-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.07
Rot. Bonds3

About 3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol

3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 67363200) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID67363200
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNc2ccccn2)CC1(C)C
InChIInChI=1S/C15H24N2O/c1-12-7-8-15(18,10-14(12,2)3)11-17-13-6-4-5-9-16-13/h4-6,9,12,18H,7-8,10-11H2,1-3H3,(H,16,17)
InChIKeyBTTGDFIZVBCKLI-UHFFFAOYSA-N
XLogP3.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol (CID 67363200) is 3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNc2ccccn2)CC1(C)C.
What is the InChIKey of 3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is BTTGDFIZVBCKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-7-8-15(18,10-14(12,2)3)11-17-13-6-4-5-9-16-13/h4-6,9,12,18H,7-8,10-11H2,1-3H3,(H,16,17).
What are the key properties of 3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol?
3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethyl-1-[(pyridin-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 67363200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).