4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide

C14H28N2O2 — CID 102628945

IUPAC4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC(C)(C)O)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-9-11(15)7-6-10(14(9,4)5)12(17)16-8-13(2,3)18/h9-11,18H,6-8,15H2,1-5H3,(H,16,17)
InChIKeyCINMNMOYJKQOTO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.27
Rot. Bonds3

About 4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102628945) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102628945
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1C(N)CCC(C(=O)NCC(C)(C)O)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-9-11(15)7-6-10(14(9,4)5)12(17)16-8-13(2,3)18/h9-11,18H,6-8,15H2,1-5H3,(H,16,17)
InChIKeyCINMNMOYJKQOTO-UHFFFAOYSA-N
XLogP1.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-hydroxyethyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102628554
4-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 102628820
4-amino-N-(2,2-difluoroethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629115
4-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutyl)cyclohexane-1-carboxamide
CID 102629120
4-amino-2,2,3-trimethyl-N-(5,5,5-trifluoropentyl)cyclohexane-1-carboxamide
CID 102629121
4-amino-2,2,3-trimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxamide
CID 105645953
4-amino-N-(3,3-difluoro-2-hydroxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 105646219
4-amino-2,2,3-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexane-1-carboxamide
CID 105937354
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 107479267
4-amino-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 113718136
2-[3-(decan-2-ylamino)-1-ethyl-2,2,6-trimethyl-4-pentyl-6-propylcyclohexyl]-N-ethylacetamide
CID 21360889
2-[5-butyl-3-(decan-2-ylamino)-1-ethyl-2,2,6-trimethyl-4-pentyl-6-propylcyclohexyl]-N-ethylacetamide
CID 23403533

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102628945) is 4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1C(N)CCC(C(=O)NCC(C)(C)O)C1(C)C.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is CINMNMOYJKQOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-9-11(15)7-6-10(14(9,4)5)12(17)16-8-13(2,3)18/h9-11,18H,6-8,15H2,1-5H3,(H,16,17).
What are the key properties of 4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).