2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide

C15H30N2O — CID 113359647

IUPAC2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide
SMILESCCCNCC(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H30N2O/c1-6-7-16-10-13(18)17-12-8-14(2,3)11-15(4,5)9-12/h12,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyTYNJKBQMZPSYEW-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.71
Rot. Bonds5

About 2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide

2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide (PubChem CID 113359647) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide
PubChem CID113359647
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide
SMILESCCCNCC(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C15H30N2O/c1-6-7-16-10-13(18)17-12-8-14(2,3)11-15(4,5)9-12/h12,16H,6-11H2,1-5H3,(H,17,18)
InChIKeyTYNJKBQMZPSYEW-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylcyclohexyl)-2-(propylamino)acetamide
CID 60671942
2-amino-N-[2-oxo-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]acetamide
CID 103966642
3-oxo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103968332
N-cyclopropyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]acetamide
CID 112681962
N-(3,3-dimethylcyclobutyl)-2-(methylamino)acetamide
CID 131025424
3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 107034267
N-(1-cyclopropylpiperidin-4-yl)-2-(propylamino)acetamide
CID 60720397
N-[[(1R,5R)-1,3,3-trimethyl-5-(propanoylamino)cyclohexyl]methyl]propanamide
CID 40571304
N-(3,3,5,5-tetramethylcyclohexyl)cyclopropanecarboxamide
CID 112568442
2-pyrrolidin-3-yl-N-(3,3,5,5-tetramethylcyclohexyl)acetamide
CID 103966571
2-(2-aminocyclohexyl)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide
CID 103968408
5-amino-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 113359655

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide?
The IUPAC name of 2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide (CID 113359647) is 2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide?
The canonical SMILES for 2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide is CCCNCC(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide?
The InChIKey is TYNJKBQMZPSYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-7-16-10-13(18)17-12-8-14(2,3)11-15(4,5)9-12/h12,16H,6-11H2,1-5H3,(H,17,18).
What are the key properties of 2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide?
2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide has a molecular weight of 254.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-(3,3,5,5-tetramethylcyclohexyl)acetamide is sourced from PubChem (CID 113359647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).