1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide

C12H24N2O2 — CID 65035910

IUPAC1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
SMILESCC(CO)CNC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-9-4-3-5-12(13,6-9)11(16)14-7-10(2)8-15/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyMLMJYPNJGWFGCX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.64
Rot. Bonds4

About 1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide

1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 65035910) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
PubChem CID65035910
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
SMILESCC(CO)CNC(=O)C1(N)CCCC(C)C1
InChIInChI=1S/C12H24N2O2/c1-9-4-3-5-12(13,6-9)11(16)14-7-10(2)8-15/h9-10,15H,3-8,13H2,1-2H3,(H,14,16)
InChIKeyMLMJYPNJGWFGCX-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 65036083
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
CID 112547772
1-amino-N-hydroxy-3-methylcyclohexane-1-carboxamide
CID 64555298
1-amino-N-(cyclobutylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64550637
1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
CID 115739018
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279
1-amino-3-methyl-N-(4-methylsulfanylbutan-2-yl)cyclohexane-1-carboxamide
CID 115740076
1-amino-3-methyl-N-octan-4-ylcyclohexane-1-carboxamide
CID 106026003
1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide
CID 64550257
2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid
CID 64554848

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide (CID 65035910) is 1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide is CC(CO)CNC(=O)C1(N)CCCC(C)C1.
What is the InChIKey of 1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is MLMJYPNJGWFGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-4-3-5-12(13,6-9)11(16)14-7-10(2)8-15/h9-10,15H,3-8,13H2,1-2H3,(H,14,16).
What are the key properties of 1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide?
1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 65035910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).