1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol

C14H22N2O — CID 64734968

IUPAC1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(Cc2cccnc2N)C1
InChIInChI=1S/C14H22N2O/c1-10-6-11(2)8-14(17,7-10)9-12-4-3-5-16-13(12)15/h3-5,10-11,17H,6-9H2,1-2H3,(H2,15,16)
InChIKeyOSWANKVSZIESFD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.39
Rot. Bonds2

About 1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol

1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol (PubChem CID 64734968) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol
PubChem CID64734968
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol
SMILESCC1CC(C)CC(O)(Cc2cccnc2N)C1
InChIInChI=1S/C14H22N2O/c1-10-6-11(2)8-14(17,7-10)9-12-4-3-5-16-13(12)15/h3-5,10-11,17H,6-9H2,1-2H3,(H2,15,16)
InChIKeyOSWANKVSZIESFD-UHFFFAOYSA-N
XLogP2.39
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol (CID 64734968) is 1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol is CC1CC(C)CC(O)(Cc2cccnc2N)C1.
What is the InChIKey of 1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol?
The InChIKey is OSWANKVSZIESFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-11(2)8-14(17,7-10)9-12-4-3-5-16-13(12)15/h3-5,10-11,17H,6-9H2,1-2H3,(H2,15,16).
What are the key properties of 1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol?
1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol has a molecular weight of 234.34 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64734968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).