2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol

C13H20N2O — CID 63306112

IUPAC2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
SMILESCc1cccnc1CNC1CCCCC1O
InChIInChI=1S/C13H20N2O/c1-10-5-4-8-14-12(10)9-15-11-6-2-3-7-13(11)16/h4-5,8,11,13,15-16H,2-3,6-7,9H2,1H3
InChIKeyZNLQEZQVONKRDW-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.78
Rot. Bonds3

About 2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol

2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol (PubChem CID 63306112) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
PubChem CID63306112
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
SMILESCc1cccnc1CNC1CCCCC1O
InChIInChI=1S/C13H20N2O/c1-10-5-4-8-14-12(10)9-15-11-6-2-3-7-13(11)16/h4-5,8,11,13,15-16H,2-3,6-7,9H2,1H3
InChIKeyZNLQEZQVONKRDW-UHFFFAOYSA-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

trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
2-tert-butyl-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 63305408
2-(chloromethyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 106365313
N-[(3-methyl-2-pyridinyl)methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103782069
N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 63305762
2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 115338606
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
CID 79740955
cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480
3-ethyl-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 112650199
2-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 113384129

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol (CID 63306112) is 2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol is Cc1cccnc1CNC1CCCCC1O.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol?
The InChIKey is ZNLQEZQVONKRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-5-4-8-14-12(10)9-15-11-6-2-3-7-13(11)16/h4-5,8,11,13,15-16H,2-3,6-7,9H2,1H3.
What are the key properties of 2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol?
2-[(3-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 2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 63306112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).