3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide

C13H25N3O2 — CID 119778147

IUPAC3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCCC(N)C1)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-13(2,3)10(11(15)17)16-12(18)8-5-4-6-9(14)7-8/h8-10H,4-7,14H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyWTOFHMGSLHOBSS-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.52
Rot. Bonds3

About 3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide

3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide (PubChem CID 119778147) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
PubChem CID119778147
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCCC(N)C1)C(N)=O
InChIInChI=1S/C13H25N3O2/c1-13(2,3)10(11(15)17)16-12(18)8-5-4-6-9(14)7-8/h8-10H,4-7,14H2,1-3H3,(H2,15,17)(H,16,18)
InChIKeyWTOFHMGSLHOBSS-UHFFFAOYSA-N
XLogP0.52
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)cyclohexane-1-carboxamide
CID 114176946
methyl (2S)-2-[(3-aminocyclohexanecarbonyl)amino]propanoate
CID 63044300
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
CID 63043944
3-amino-N-(2-methylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119763282
3-amino-N-but-3-en-2-ylcyclohexane-1-carboxamide
CID 115739612
3-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)cyclopentane-1-carboxamide
CID 103810507
3-amino-N-(2,4,4-trimethylpentan-2-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119674765
3-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 130163371
3-amino-N-(1-amino-1-oxopropan-2-yl)cyclopentane-1-carboxamide
CID 66031893
methyl 2-[(3-aminocyclohexanecarbonyl)amino]-2-methylpropanoate
CID 63043974
3-amino-N-[2-(dimethylamino)-2-methylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119830598
3-amino-N-(1-cyclohexylpropyl)cyclohexane-1-carboxamide
CID 62776840

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide (CID 119778147) is 3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide is CC(C)(C)C(NC(=O)C1CCCC(N)C1)C(N)=O.
What is the InChIKey of 3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide?
The InChIKey is WTOFHMGSLHOBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-13(2,3)10(11(15)17)16-12(18)8-5-4-6-9(14)7-8/h8-10H,4-7,14H2,1-3H3,(H2,15,17)(H,16,18).
What are the key properties of 3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide?
3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119778147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).