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

C15H30N2O2 — CID 102629235

IUPAC4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCCOC(C)CNC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-6-19-10(2)9-17-14(18)12-7-8-13(16)11(3)15(12,4)5/h10-13H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyYSZZGFAFBZTOEQ-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.93
Rot. Bonds5

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

4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide (PubChem CID 102629235) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
PubChem CID102629235
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
SMILESCCOC(C)CNC(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C15H30N2O2/c1-6-19-10(2)9-17-14(18)12-7-8-13(16)11(3)15(12,4)5/h10-13H,6-9,16H2,1-5H3,(H,17,18)
InChIKeyYSZZGFAFBZTOEQ-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 102628950
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
CID 102629260
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629015
4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
CID 102628205
4-amino-2,2,3-trimethyl-N-pent-4-en-2-ylcyclohexane-1-carboxamide
CID 102629227
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945
4-amino-N-(3-cyanopropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628781
4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
4-amino-N-(3-hydroxy-2,2-dimethylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629114
4-amino-2,2,3-trimethyl-N-propylsulfonylcyclohexane-1-carboxamide
CID 103307661

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide (CID 102629235) is 4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide is CCOC(C)CNC(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
The InChIKey is YSZZGFAFBZTOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-19-10(2)9-17-14(18)12-7-8-13(16)11(3)15(12,4)5/h10-13H,6-9,16H2,1-5H3,(H,17,18).
What are the key properties of 4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide?
4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxypropyl)-2,2,3-trimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102629235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).