2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide

C14H28N2O — CID 81320441

IUPAC2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide
SMILESCC(C)CNC1(C(N)=O)CCC(C)(C)CC1C
InChIInChI=1S/C14H28N2O/c1-10(2)9-16-14(12(15)17)7-6-13(4,5)8-11(14)3/h10-11,16H,6-9H2,1-5H3,(H2,15,17)
InChIKeyAJJUVSIRUIDJML-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.30
Rot. Bonds4

About 2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide

2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide (PubChem CID 81320441) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide
PubChem CID81320441
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide
SMILESCC(C)CNC1(C(N)=O)CCC(C)(C)CC1C
InChIInChI=1S/C14H28N2O/c1-10(2)9-16-14(12(15)17)7-6-13(4,5)8-11(14)3/h10-11,16H,6-9H2,1-5H3,(H2,15,17)
InChIKeyAJJUVSIRUIDJML-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-(2-methylpropylamino)cyclopentane-1-carboxamide
CID 80705707
1-anilino-2,4,4-trimethylcyclohexane-1-carboxamide
CID 81320439
ethyl 2,4,4-trimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 81320996
methyl 2,4-dimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 64754964
2-methoxy-1-(2-methylpropylamino)cyclohexane-1-carboxamide
CID 106872898
1-(4-methoxyanilino)-2,4,4-trimethylcyclohexane-1-carboxamide
CID 81302786
methyl 2,4,4-trimethyl-1-(methylamino)cyclohexane-1-carboxylate
CID 81320916
1-(cyclopentylamino)-2,4,4-trimethylcyclohexane-1-carboxylic acid
CID 81321246
2-methyl-3-(2-methylpropylamino)thiane-3-carboxylic acid
CID 79951343
3-(2-methylpropylamino)oxolane-3-carboxamide
CID 63335455
3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylic acid
CID 64516179
2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide
CID 106661438

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide?
The IUPAC name of 2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide (CID 81320441) is 2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide is CC(C)CNC1(C(N)=O)CCC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide?
The InChIKey is AJJUVSIRUIDJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)9-16-14(12(15)17)7-6-13(4,5)8-11(14)3/h10-11,16H,6-9H2,1-5H3,(H2,15,17).
What are the key properties of 2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide?
2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide has a molecular weight of 240.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-(2-methylpropylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 81320441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).