(3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate

C15H22N2O2 — CID 107340006

IUPAC(3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate
SMILESCC1CCC(OC(=O)Cc2ccc(N)cn2)CC1C
InChIInChI=1S/C15H22N2O2/c1-10-3-6-14(7-11(10)2)19-15(18)8-13-5-4-12(16)9-17-13/h4-5,9-11,14H,3,6-8,16H2,1-2H3
InChIKeyWQWDUMSPMOREFZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.57
Rot. Bonds3

About (3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate

(3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate (PubChem CID 107340006) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate
PubChem CID107340006
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate
SMILESCC1CCC(OC(=O)Cc2ccc(N)cn2)CC1C
InChIInChI=1S/C15H22N2O2/c1-10-3-6-14(7-11(10)2)19-15(18)8-13-5-4-12(16)9-17-13/h4-5,9-11,14H,3,6-8,16H2,1-2H3
InChIKeyWQWDUMSPMOREFZ-UHFFFAOYSA-N
XLogP2.57
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate?
The IUPAC name of (3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate (CID 107340006) is (3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate.
What is the SMILES notation for (3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate?
The canonical SMILES for (3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate is CC1CCC(OC(=O)Cc2ccc(N)cn2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate?
The InChIKey is WQWDUMSPMOREFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-3-6-14(7-11(10)2)19-15(18)8-13-5-4-12(16)9-17-13/h4-5,9-11,14H,3,6-8,16H2,1-2H3.
What are the key properties of (3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate?
(3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate has a molecular weight of 262.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl) 2-(5-amino-2-pyridinyl)acetate is sourced from PubChem (CID 107340006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).