3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide

C11H21N3O2 — CID 62775426

IUPAC3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCNC(=O)CN(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C11H21N3O2/c1-13-10(15)7-14(2)11(16)8-4-3-5-9(12)6-8/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyHJMRDSRQRZRJRU-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds3

About 3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide

3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 62775426) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID62775426
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCNC(=O)CN(C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C11H21N3O2/c1-13-10(15)7-14(2)11(16)8-4-3-5-9(12)6-8/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyHJMRDSRQRZRJRU-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 60846741
3-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 66010622
3-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 113267257
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
3-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119684097
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119732546
3-amino-N-(2-cyanoethyl)-N-methylcyclohexane-1-carboxamide
CID 63041805
3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 62782674
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
2-amino-N,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 65454721
3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798090

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide (CID 62775426) is 3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide is CNC(=O)CN(C)C(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is HJMRDSRQRZRJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13-10(15)7-14(2)11(16)8-4-3-5-9(12)6-8/h8-9H,3-7,12H2,1-2H3,(H,13,15).
What are the key properties of 3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62775426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).