[1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone

C15H22N2O — CID 79066112

IUPAC[1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2(N(C)C)CCCCC2)cn1
InChIInChI=1S/C15H22N2O/c1-12-7-8-13(11-16-12)14(18)15(17(2)3)9-5-4-6-10-15/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyASAIBIHPJXGLSA-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.84
Rot. Bonds3

About [1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone

[1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 79066112) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone
PubChem CID79066112
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)C2(N(C)C)CCCCC2)cn1
InChIInChI=1S/C15H22N2O/c1-12-7-8-13(11-16-12)14(18)15(17(2)3)9-5-4-6-10-15/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyASAIBIHPJXGLSA-UHFFFAOYSA-N
XLogP2.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[1-(dimethylamino)cyclohexyl]methanone
CID 79066108
(1-methoxycyclobutyl)-(6-methyl-3-pyridinyl)methanone
CID 116707015
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640
[1-(dimethylamino)cyclohexyl]-(1-methylpyrazol-4-yl)methanone
CID 79066934
[1-(dimethylamino)cycloheptyl]-(5-methylthiophen-3-yl)methanone
CID 79074712
N-[1-(aminomethyl)cyclohexyl]-6-methylpyridine-3-carboxamide
CID 63755844
(3-ethylpyrrolidin-3-yl)-(6-methyl-3-pyridinyl)methanone
CID 116570190
(4-aminooxan-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 116604510
1-adamantyl-(6-methyl-3-pyridinyl)methanone
CID 55166588
(4-methoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methanone
CID 116748710
(2-amino-3-pyridinyl)-[1-(dimethylamino)cycloheptyl]methanone
CID 79074262
[1-(dimethylamino)cyclopentyl]-(5-methylthiophen-3-yl)methanone
CID 79067454

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone (CID 79066112) is [1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)C2(N(C)C)CCCCC2)cn1.
What is the InChIKey of [1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is ASAIBIHPJXGLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-7-8-13(11-16-12)14(18)15(17(2)3)9-5-4-6-10-15/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of [1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone?
[1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 246.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclohexyl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 79066112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).