4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide

C17H33N3O — CID 102629161

IUPAC4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(C)N1NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C17H33N3O/c1-11-7-6-8-12(2)20(11)19-16(21)14-9-10-15(18)13(3)17(14,4)5/h11-15H,6-10,18H2,1-5H3,(H,19,21)
InChIKeyGJFYJLOIHJOELQ-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.68
Rot. Bonds2

About 4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide

4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102629161) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102629161
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCC1CCCC(C)N1NC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C17H33N3O/c1-11-7-6-8-12(2)20(11)19-16(21)14-9-10-15(18)13(3)17(14,4)5/h11-15H,6-10,18H2,1-5H3,(H,19,21)
InChIKeyGJFYJLOIHJOELQ-UHFFFAOYSA-N
XLogP2.68
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 102628934
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945
4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628489
4-amino-N-(2,6-dimethylpiperidin-1-yl)-3-methylcyclohexane-1-carboxamide
CID 83024704
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-N-(5-amino-5-oxopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106236108
4-amino-N-(2,2-dimethylcyclopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629042
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629325
cis-(1R,3S)-3-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106322683
4-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628630

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102629161) is 4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide is CC1CCCC(C)N1NC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is GJFYJLOIHJOELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-11-7-6-8-12(2)20(11)19-16(21)14-9-10-15(18)13(3)17(14,4)5/h11-15H,6-10,18H2,1-5H3,(H,19,21).
What are the key properties of 4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-dimethylpiperidin-1-yl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102629161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).