4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide

C13H26N2O — CID 102628336

IUPAC4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C13H26N2O/c1-6-15(5)12(16)10-7-8-11(14)9(2)13(10,3)4/h9-11H,6-8,14H2,1-5H3
InChIKeyOSSMNIGXHNRRJJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.86
Rot. Bonds2

About 4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide

4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide (PubChem CID 102628336) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
PubChem CID102628336
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide
SMILESCCN(C)C(=O)C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C13H26N2O/c1-6-15(5)12(16)10-7-8-11(14)9(2)13(10,3)4/h9-11H,6-8,14H2,1-5H3
InChIKeyOSSMNIGXHNRRJJ-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116571
4-amino-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116573
4-amino-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116672
4-amino-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55116720
4-amino-N,3-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 55117054
4-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62781537
4-amino-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62782088
4-amino-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62782590
4-amino-N,3-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 65530580
4-amino-N,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
CID 65530765
4-amino-N,2,2,3-tetramethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102628479
4-amino-2,2,3-trimethyl-N-propyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102628517

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide (CID 102628336) is 4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide is CCN(C)C(=O)C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
The InChIKey is OSSMNIGXHNRRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-15(5)12(16)10-7-8-11(14)9(2)13(10,3)4/h9-11H,6-8,14H2,1-5H3.
What are the key properties of 4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide?
4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N,2,2,3-tetramethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102628336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).