[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol

C14H23N3O — CID 79075127

IUPAC[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol
SMILESCC1CCCC(C(O)c2cnccn2)(N(C)C)C1
InChIInChI=1S/C14H23N3O/c1-11-5-4-6-14(9-11,17(2)3)13(18)12-10-15-7-8-16-12/h7-8,10-11,13,18H,4-6,9H2,1-3H3
InChIKeyOMHUQTNCMMVPQH-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.02
Rot. Bonds3

About [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol

[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol (PubChem CID 79075127) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol
PubChem CID79075127
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol
SMILESCC1CCCC(C(O)c2cnccn2)(N(C)C)C1
InChIInChI=1S/C14H23N3O/c1-11-5-4-6-14(9-11,17(2)3)13(18)12-10-15-7-8-16-12/h7-8,10-11,13,18H,4-6,9H2,1-3H3
InChIKeyOMHUQTNCMMVPQH-UHFFFAOYSA-N
XLogP2.02
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol?
The IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol (CID 79075127) is [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol.
What is the SMILES notation for [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol?
The canonical SMILES for [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol is CC1CCCC(C(O)c2cnccn2)(N(C)C)C1.
What is the InChIKey of [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol?
The InChIKey is OMHUQTNCMMVPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-5-4-6-14(9-11,17(2)3)13(18)12-10-15-7-8-16-12/h7-8,10-11,13,18H,4-6,9H2,1-3H3.
What are the key properties of [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol?
[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol has a molecular weight of 249.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol is sourced from PubChem (CID 79075127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).