2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol

C12H19N3O — CID 133343985

IUPAC2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(CNc2cnccn2)CCCCC1O
InChIInChI=1S/C12H19N3O/c1-12(5-3-2-4-10(12)16)9-15-11-8-13-6-7-14-11/h6-8,10,16H,2-5,9H2,1H3,(H,14,15)
InChIKeyREGGSHFLUYAUMB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds3

About 2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol

2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 133343985) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID133343985
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1(CNc2cnccn2)CCCCC1O
InChIInChI=1S/C12H19N3O/c1-12(5-3-2-4-10(12)16)9-15-11-8-13-6-7-14-11/h6-8,10,16H,2-5,9H2,1H3,(H,14,15)
InChIKeyREGGSHFLUYAUMB-UHFFFAOYSA-N
XLogP1.83
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,5-Dimethyl-2-(pyrazin-2-ylamino)hexane-1,4-diol
CID 132304509
(2S)-3-cyclobutyl-2-(pyrazin-2-ylamino)propan-1-ol
CID 164633756
3-[[(6-Chloropyrazin-2-yl)amino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 53344923
[1-(Pyrazin-2-ylamino)cyclohexyl]methanol
CID 62521523
[4-Methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol
CID 62525506
[3-Methyl-1-(pyrazin-2-ylamino)cyclohexyl]methanol
CID 62527228
3-Methyl-1-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol
CID 63961692
1-[(Pyrazin-2-ylamino)methyl]cycloheptan-1-ol
CID 64415646
2-((Pyrazin-2-ylamino)methyl)cyclohexan-1-ol
CID 64911255
2-[[(6-Chloropyrazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 64911914
2-[[(3-Chloropyrazin-2-yl)amino]methyl]cyclohexan-1-ol
CID 64911915
1-[(Pyrazin-2-ylamino)methyl]cyclohexan-1-ol
CID 65110895

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol (CID 133343985) is 2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol is CC1(CNc2cnccn2)CCCCC1O.
What is the InChIKey of 2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is REGGSHFLUYAUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(5-3-2-4-10(12)16)9-15-11-8-13-6-7-14-11/h6-8,10,16H,2-5,9H2,1H3,(H,14,15).
What are the key properties of 2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol?
2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 221.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(pyrazin-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 133343985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).