5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide

C12H23N3O2 — CID 102706526

IUPAC5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(C)CC(N)=O)CC1N
InChIInChI=1S/C12H23N3O2/c1-7-4-8(2)10(13)5-9(7)12(17)15(3)6-11(14)16/h7-10H,4-6,13H2,1-3H3,(H2,14,16)
InChIKeySDJBGGBVLFRQSL-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.06
Rot. Bonds3

About 5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide

5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide (PubChem CID 102706526) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide
PubChem CID102706526
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(C)CC(N)=O)CC1N
InChIInChI=1S/C12H23N3O2/c1-7-4-8(2)10(13)5-9(7)12(17)15(3)6-11(14)16/h7-10H,4-6,13H2,1-3H3,(H2,14,16)
InChIKeySDJBGGBVLFRQSL-UHFFFAOYSA-N
XLogP-0.06
TPSA89.42 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 ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706605
5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
CID 102706518
5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 102706607
5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706923
5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102706568
5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 102706896
cis-(1S,2R)-2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93344016
2-[(2-amino-2-oxoethyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977737
5-amino-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102706516
5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706594
5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102706640
5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706457

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide (CID 102706526) is 5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide is CC1CC(C)C(C(=O)N(C)CC(N)=O)CC1N.
What is the InChIKey of 5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide?
The InChIKey is SDJBGGBVLFRQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-7-4-8(2)10(13)5-9(7)12(17)15(3)6-11(14)16/h7-10H,4-6,13H2,1-3H3,(H2,14,16).
What are the key properties of 5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide?
5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).