(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone

C13H18N2O — CID 116580007

IUPAC(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)C1CCCCC1N
InChIInChI=1S/C13H18N2O/c1-9-6-7-15-8-11(9)13(16)10-4-2-3-5-12(10)14/h6-8,10,12H,2-5,14H2,1H3
InChIKeyUQBBEBLSHZKPMW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.09
Rot. Bonds2

About (2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone

(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 116580007) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone
PubChem CID116580007
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone
SMILESCc1ccncc1C(=O)C1CCCCC1N
InChIInChI=1S/C13H18N2O/c1-9-6-7-15-8-11(9)13(16)10-4-2-3-5-12(10)14/h6-8,10,12H,2-5,14H2,1H3
InChIKeyUQBBEBLSHZKPMW-UHFFFAOYSA-N
XLogP2.09
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone
CID 116547900
(2-aminocycloheptyl)-(2,4-dimethylphenyl)methanone
CID 116595098
(2-aminocyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 116580026
(2-aminocycloheptyl)-isoquinolin-4-ylmethanone
CID 116595175
(4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone
CID 66273110
1-[4-(4-methylpyridine-3-carbonyl)piperidin-1-yl]ethanone
CID 122689327
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
(2-aminocycloheptyl)-(2-chlorophenyl)methanone
CID 116595085
(2-aminocycloheptyl)-(3-methylthiophen-2-yl)methanone
CID 116595147
4-methylpyridine-3-carbonyl chloride
CID 22386188
(2-aminocycloheptyl)-(2-methylquinolin-6-yl)methanone
CID 116595188
(2-aminocyclopentyl)-(2-chlorophenyl)methanone
CID 116580051

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone (CID 116580007) is (2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone is Cc1ccncc1C(=O)C1CCCCC1N.
What is the InChIKey of (2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is UQBBEBLSHZKPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-6-7-15-8-11(9)13(16)10-4-2-3-5-12(10)14/h6-8,10,12H,2-5,14H2,1H3.
What are the key properties of (2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone?
(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 218.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 116580007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).