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

C14H21N3O — CID 79074446

IUPAC[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone
SMILESCC1CCCC(C(=O)c2cnccn2)(N(C)C)C1
InChIInChI=1S/C14H21N3O/c1-11-5-4-6-14(9-11,17(2)3)13(18)12-10-15-7-8-16-12/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyRYPNBGDHQDMQID-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.17
Rot. Bonds3

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

[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone (PubChem CID 79074446) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone
PubChem CID79074446
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone
SMILESCC1CCCC(C(=O)c2cnccn2)(N(C)C)C1
InChIInChI=1S/C14H21N3O/c1-11-5-4-6-14(9-11,17(2)3)13(18)12-10-15-7-8-16-12/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyRYPNBGDHQDMQID-UHFFFAOYSA-N
XLogP2.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexen-1-yl-[1-(dimethylamino)-3-methylcyclohexyl]methanone
CID 106652019
[1-(dimethylamino)-3-methylcyclohexyl]-(3-fluoro-5-methylphenyl)methanone
CID 79704310
[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanol
CID 79075127
(4-chloro-3-methoxyphenyl)-[1-(dimethylamino)-3-methylcyclohexyl]methanone
CID 79700332
1-[1-(dimethylamino)-3-methylcyclohexyl]-3-methylbut-2-en-1-one
CID 79189501
(4-methylcyclohexyl)-pyrazin-2-ylmethanone
CID 63969012
(1-methoxycyclohexyl)-pyrazin-2-ylmethanone
CID 116748019
1-[1-(dimethylamino)-3-methylcyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 79074674
(4,4-dimethylcyclohexyl)-pyrazin-2-ylmethanone
CID 65390403
1-[1-(dimethylamino)-3-methylcyclohexyl]pentan-1-one
CID 79074670
[1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone
CID 79074454
2-(4-bromothiophen-2-yl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79074745

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone?
The IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone (CID 79074446) is [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone?
The canonical SMILES for [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone is CC1CCCC(C(=O)c2cnccn2)(N(C)C)C1.
What is the InChIKey of [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone?
The InChIKey is RYPNBGDHQDMQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-5-4-6-14(9-11,17(2)3)13(18)12-10-15-7-8-16-12/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone?
[1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone has a molecular weight of 247.34 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-3-methylcyclohexyl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 79074446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).