(3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate

C14H20N2O2 — CID 107339974

IUPAC(3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate
SMILESCC1CCCC(OC(=O)Cc2ccc(N)cn2)C1
InChIInChI=1S/C14H20N2O2/c1-10-3-2-4-13(7-10)18-14(17)8-12-6-5-11(15)9-16-12/h5-6,9-10,13H,2-4,7-8,15H2,1H3
InChIKeyPLNSEAXXHHUSAO-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.33
Rot. Bonds3

About (3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate

(3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate (PubChem CID 107339974) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate
PubChem CID107339974
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate
SMILESCC1CCCC(OC(=O)Cc2ccc(N)cn2)C1
InChIInChI=1S/C14H20N2O2/c1-10-3-2-4-13(7-10)18-14(17)8-12-6-5-11(15)9-16-12/h5-6,9-10,13H,2-4,7-8,15H2,1H3
InChIKeyPLNSEAXXHHUSAO-UHFFFAOYSA-N
XLogP2.33
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate
CID 107340006
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827
(3-methylcyclohexyl) 2-(2-propan-2-yl-1,3-thiazol-4-yl)acetate
CID 78874043
(3-methylcyclohexyl) 2-phenoxyacetate
CID 78838655
2-(5-amino-2-pyridinyl)-N-(2-methoxycyclopentyl)acetamide
CID 107338628
2-(5-amino-2-pyridinyl)-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413069
1,2,3,4-tetrahydronaphthalen-1-yl 2-(5-amino-2-pyridinyl)acetate
CID 107339958
(3-methylcyclohexyl) 3-(3-aminophenyl)propanoate
CID 80701584
2-(5-amino-2-pyridinyl)-N-cyclohexyl-N-methylacetamide
CID 107337433
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
(3-methoxycyclohexyl) 5-aminopyridine-2-carboxylate
CID 81317043

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate?
The IUPAC name of (3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate (CID 107339974) is (3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate.
What is the SMILES notation for (3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate?
The canonical SMILES for (3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate is CC1CCCC(OC(=O)Cc2ccc(N)cn2)C1.
What is the InChIKey of (3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate?
The InChIKey is PLNSEAXXHHUSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-2-4-13(7-10)18-14(17)8-12-6-5-11(15)9-16-12/h5-6,9-10,13H,2-4,7-8,15H2,1H3.
What are the key properties of (3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate?
(3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate has a molecular weight of 248.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate is sourced from PubChem (CID 107339974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).