3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide

C15H30N2O — CID 103966047

IUPAC3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)CN)CC(C)(C)C1
InChIInChI=1S/C15H30N2O/c1-13(2)7-11(8-14(3,4)9-13)17-12(18)15(5,6)10-16/h11H,7-10,16H2,1-6H3,(H,17,18)
InChIKeyTWUISHRKBRUHRN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.69
Rot. Bonds3

About 3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide

3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide (PubChem CID 103966047) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
PubChem CID103966047
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
SMILESCC1(C)CC(NC(=O)C(C)(C)CN)CC(C)(C)C1
InChIInChI=1S/C15H30N2O/c1-13(2)7-11(8-14(3,4)9-13)17-12(18)15(5,6)10-16/h11H,7-10,16H2,1-6H3,(H,17,18)
InChIKeyTWUISHRKBRUHRN-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 304852
2-methyl-N-({1,3,3-trimethyl-5-[(2-methylpropanoyl)amino]cyclohexyl}methyl)propanamide
CID 4122522
N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
CID 4189567
N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide
CID 164672971
2,2,2-trifluoro-N-({1,3,3-trimethyl-5-[(trifluoroacetyl)amino]cyclohexyl}methyl)acetamide
CID 2932402
3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide
CID 91659607
3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide
CID 97258642
(2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide
CID 99776262
3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide
CID 99853782
3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide
CID 100643006
3-fluoro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]propanamide
CID 57902249
N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide
CID 59970268

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide (CID 103966047) is 3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide is CC1(C)CC(NC(=O)C(C)(C)CN)CC(C)(C)C1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
The InChIKey is TWUISHRKBRUHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)7-11(8-14(3,4)9-13)17-12(18)15(5,6)10-16/h11H,7-10,16H2,1-6H3,(H,17,18).
What are the key properties of 3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide?
3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide has a molecular weight of 254.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide is sourced from PubChem (CID 103966047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).