5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide

C15H29N3O2 — CID 106280309

IUPAC5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C15H29N3O2/c1-9-6-10(2)12(16)7-11(9)13(19)18-8-15(3,4)14(20)17-5/h9-12H,6-8,16H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyJJSLIRPTIMGORP-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.88
Rot. Bonds4

About 5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide

5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 106280309) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID106280309
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide
SMILESCNC(=O)C(C)(C)CNC(=O)C1CC(N)C(C)CC1C
InChIInChI=1S/C15H29N3O2/c1-9-6-10(2)12(16)7-11(9)13(19)18-8-15(3,4)14(20)17-5/h9-12H,6-8,16H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyJJSLIRPTIMGORP-UHFFFAOYSA-N
XLogP0.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-methylcyclopropane-1-carboxamide
CID 81483791
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706782
5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706457
5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706633
5-amino-N-(3,3-dimethylbutan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706911
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106241357
5-amino-N-(3-methoxy-2-methylpropyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706675
3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 106275598
5-amino-N-(2-cyclohexyloxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706761
5-amino-2,4-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]cyclohexane-1-carboxamide
CID 106052842
5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706681
5-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706891

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide (CID 106280309) is 5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide is CNC(=O)C(C)(C)CNC(=O)C1CC(N)C(C)CC1C.
What is the InChIKey of 5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is JJSLIRPTIMGORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-9-6-10(2)12(16)7-11(9)13(19)18-8-15(3,4)14(20)17-5/h9-12H,6-8,16H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of 5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide?
5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 106280309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).