cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol

C13H20N2O — CID 155506980

IUPACcis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
SMILESCc1cccc(CN[C@H]2CCC[C@@H](O)C2)n1
InChIInChI=1S/C13H20N2O/c1-10-4-2-6-12(15-10)9-14-11-5-3-7-13(16)8-11/h2,4,6,11,13-14,16H,3,5,7-9H2,1H3/t11-,13+/m0/s1
InChIKeyCIPTYZNOKJQPHR-WCQYABFASA-N
MW220.32 g/mol
LogP1.78
Rot. Bonds3

About cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol

cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol (PubChem CID 155506980) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
PubChem CID155506980
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Namecis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
SMILESCc1cccc(CN[C@H]2CCC[C@@H](O)C2)n1
InChIInChI=1S/C13H20N2O/c1-10-4-2-6-12(15-10)9-14-11-5-3-7-13(16)8-11/h2,4,6,11,13-14,16H,3,5,7-9H2,1H3/t11-,13+/m0/s1
InChIKeyCIPTYZNOKJQPHR-WCQYABFASA-N
XLogP1.78
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 130751518
3-[(2,3-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54983316
5-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 60960720
4-[(6-methyl-2-pyridinyl)methylamino]azepan-2-one
CID 63887494
2-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 79267879
3-(quinolin-8-ylmethylamino)cyclohexan-1-ol
CID 43751062
4-[[(6-methyl-2-pyridinyl)methylamino]methyl]cyclohexan-1-ol
CID 106133296
3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 62322840
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062
3-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 54971817
3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79267082

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol (CID 155506980) is cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol is Cc1cccc(CN[C@H]2CCC[C@@H](O)C2)n1.
What is the InChIKey of cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol?
The InChIKey is CIPTYZNOKJQPHR-WCQYABFASA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-2-6-12(15-10)9-14-11-5-3-7-13(16)8-11/h2,4,6,11,13-14,16H,3,5,7-9H2,1H3/t11-,13+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol?
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 155506980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).