4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide

C14H26N2O — CID 102628769

IUPAC4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
SMILESCC1CC1NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C14H26N2O/c1-8-7-12(8)16-13(17)10-5-6-11(15)9(2)14(10,3)4/h8-12H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyMIFUQSLIIATHHA-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.91
Rot. Bonds2

About 4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide

4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide (PubChem CID 102628769) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
PubChem CID102628769
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
SMILESCC1CC1NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C14H26N2O/c1-8-7-12(8)16-13(17)10-5-6-11(15)9(2)14(10,3)4/h8-12H,5-7,15H2,1-4H3,(H,16,17)
InChIKeyMIFUQSLIIATHHA-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322683
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 102628934
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629325
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629042
4-amino-N-(2,2-dimethylcyclohexyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629043
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628630
4-amino-2,2,3-trimethyl-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclohexane-1-carboxamide
CID 102629031
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629161

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide (CID 102628769) is 4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide is CC1CC1NC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide?
The InChIKey is MIFUQSLIIATHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-8-7-12(8)16-13(17)10-5-6-11(15)9(2)14(10,3)4/h8-12H,5-7,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide?
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102628769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).