3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide

C16H32N2O — CID 103966622

IUPAC3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
SMILESCC(C)C(N)CC(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H32N2O/c1-11(2)13(17)7-14(19)18-12-8-15(3,4)10-16(5,6)9-12/h11-13H,7-10,17H2,1-6H3,(H,18,19)
InChIKeyVKHHKEOTBSAISX-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.08
Rot. Bonds4

About 3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide

3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide (PubChem CID 103966622) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
PubChem CID103966622
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
SMILESCC(C)C(N)CC(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H32N2O/c1-11(2)13(17)7-14(19)18-12-8-15(3,4)10-16(5,6)9-12/h11-13H,7-10,17H2,1-6H3,(H,18,19)
InChIKeyVKHHKEOTBSAISX-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4,4-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103966637
(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride
CID 120874151
2-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 112639937
3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103966570
3-oxo-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 103968332
(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103951343
3-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)propanamide
CID 107034267
3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 107034259
5-amino-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 113359655
2-amino-N-[2-oxo-2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]acetamide
CID 103966642
2-carbamothioyl-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 103966863
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 112639940

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide?
The IUPAC name of 3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide (CID 103966622) is 3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide.
What is the SMILES notation for 3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide?
The canonical SMILES for 3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide is CC(C)C(N)CC(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide?
The InChIKey is VKHHKEOTBSAISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-11(2)13(17)7-14(19)18-12-8-15(3,4)10-16(5,6)9-12/h11-13H,7-10,17H2,1-6H3,(H,18,19).
What are the key properties of 3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide?
3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide has a molecular weight of 268.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide is sourced from PubChem (CID 103966622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).