2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide

C12H23N3O2 — CID 65456053

IUPAC2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)C(C(=O)NC(C)(C)C(N)=O)C1
InChIInChI=1S/C12H23N3O2/c1-7-4-5-9(13)8(6-7)10(16)15-12(2,3)11(14)17/h7-9H,4-6,13H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeySPXWNJSSDUSIKH-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.13
Rot. Bonds3

About 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide

2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide (PubChem CID 65456053) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide
PubChem CID65456053
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide
SMILESCC1CCC(N)C(C(=O)NC(C)(C)C(N)=O)C1
InChIInChI=1S/C12H23N3O2/c1-7-4-5-9(13)8(6-7)10(16)15-12(2,3)11(14)17/h7-9H,4-6,13H2,1-3H3,(H2,14,17)(H,15,16)
InChIKeySPXWNJSSDUSIKH-UHFFFAOYSA-N
XLogP0.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706633
N-(1-amino-2-methyl-1-oxopropan-2-yl)cyclopropanecarboxamide
CID 61226670
2-amino-5-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 65455850
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-methylpyrrolidine-3-carboxamide
CID 79389113
2-amino-5-methyl-N-(3-methylbutan-2-yl)cyclohexane-1-carboxamide
CID 65453766
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628630
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-5-methylcyclohexane-1-carboxamide
CID 65454343
2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 65456041
2-amino-N-(2-ethylcyclohexyl)-5-methylcyclohexane-1-carboxamide
CID 65454165
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylcyclohexane-1-carboxamide
CID 83117542
2-amino-N-hexan-3-yl-5-methylcyclohexane-1-carboxamide
CID 65455479
2-amino-5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 65456059

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide (CID 65456053) is 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide is CC1CCC(N)C(C(=O)NC(C)(C)C(N)=O)C1.
What is the InChIKey of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide?
The InChIKey is SPXWNJSSDUSIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-7-4-5-9(13)8(6-7)10(16)15-12(2,3)11(14)17/h7-9H,4-6,13H2,1-3H3,(H2,14,17)(H,15,16).
What are the key properties of 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide?
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 65456053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).