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

C12H23N3O2 — CID 62782674

IUPAC3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCNC(=O)CN(C)C(=O)C1CCCC(N)C1C
InChIInChI=1S/C12H23N3O2/c1-8-9(5-4-6-10(8)13)12(17)15(3)7-11(16)14-2/h8-10H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyARXXITFEESMHBQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.05
Rot. Bonds3

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

3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide (PubChem CID 62782674) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
PubChem CID62782674
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
SMILESCNC(=O)CN(C)C(=O)C1CCCC(N)C1C
InChIInChI=1S/C12H23N3O2/c1-8-9(5-4-6-10(8)13)12(17)15(3)7-11(16)14-2/h8-10H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyARXXITFEESMHBQ-UHFFFAOYSA-N
XLogP-0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide (CID 62782674) is 3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide is CNC(=O)CN(C)C(=O)C1CCCC(N)C1C.
What is the InChIKey of 3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
The InChIKey is ARXXITFEESMHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8-9(5-4-6-10(8)13)12(17)15(3)7-11(16)14-2/h8-10H,4-7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide?
3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62782674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).