methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate

C11H18N2O2 — CID 28702826

IUPACmethyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate
SMILESCOC(=O)CNC1(C#N)CCC(C)CC1
InChIInChI=1S/C11H18N2O2/c1-9-3-5-11(8-12,6-4-9)13-7-10(14)15-2/h9,13H,3-7H2,1-2H3
InChIKeyUYHJJLSEKFAJPG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.22
Rot. Bonds3

About methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate

methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate (PubChem CID 28702826) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate
PubChem CID28702826
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate
SMILESCOC(=O)CNC1(C#N)CCC(C)CC1
InChIInChI=1S/C11H18N2O2/c1-9-3-5-11(8-12,6-4-9)13-7-10(14)15-2/h9,13H,3-7H2,1-2H3
InChIKeyUYHJJLSEKFAJPG-UHFFFAOYSA-N
XLogP1.22
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(methylamino)cyclohexane-1-carbonitrile;hydrochloride
CID 74889891
N-(1-cyano-4-methylcyclohexyl)-2-cyclohexylacetamide
CID 61121520
N-(1-cyano-4-methylcyclohexyl)ethanesulfinamide
CID 130834489
1-(2-azidoethylamino)-4-methylcyclohexane-1-carbonitrile
CID 66189386
1-(1-cyano-4-methylcyclohexyl)-3-cyclobutylurea
CID 116658255
N-(1-cyano-4-methylcyclohexyl)-3,4,4-trimethylpentanamide
CID 55260135
1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114990677
1-benzyl-3-(1-cyano-4-methylcyclohexyl)urea
CID 107653431
1-(3-azidopropylamino)-4-methylcyclohexane-1-carbonitrile
CID 66189282
4-methyl-1-(methylamino)cycloheptane-1-carbonitrile
CID 65085150
3-methyl-1-(propylamino)cyclopentane-1-carbonitrile
CID 64500336
N-(1-cyano-4-methylcyclohexyl)-2-ethylhexanamide
CID 61119147

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate?
The IUPAC name of methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate (CID 28702826) is methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate is COC(=O)CNC1(C#N)CCC(C)CC1.
What is the InChIKey of methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate?
The InChIKey is UYHJJLSEKFAJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9-3-5-11(8-12,6-4-9)13-7-10(14)15-2/h9,13H,3-7H2,1-2H3.
What are the key properties of methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate?
methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate has a molecular weight of 210.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-cyano-4-methylcyclohexyl)amino]acetate is sourced from PubChem (CID 28702826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).