(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide

C16H32N2O — CID 103951343

IUPAC(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H32N2O/c1-7-11(2)13(17)14(19)18-12-8-15(3,4)10-16(5,6)9-12/h11-13H,7-10,17H2,1-6H3,(H,18,19)/t11-,13-/m0/s1
InChIKeyWYHRXIASYMSSLW-AAEUAGOBSA-N
MW268.44 g/mol
LogP3.08
Rot. Bonds4

About (2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide (PubChem CID 103951343) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
PubChem CID103951343
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C16H32N2O/c1-7-11(2)13(17)14(19)18-12-8-15(3,4)10-16(5,6)9-12/h11-13H,7-10,17H2,1-6H3,(H,18,19)/t11-,13-/m0/s1
InChIKeyWYHRXIASYMSSLW-AAEUAGOBSA-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

2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
(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
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 112639940
(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 103951340
3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103966570
(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
CID 103833033
2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
2-amino-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-3-methylpentanamide;hydrochloride
CID 119817970
3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103966622
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 106361554
(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
CID 83029138

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide (CID 103951343) is (2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)NC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide?
The InChIKey is WYHRXIASYMSSLW-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-11(2)13(17)14(19)18-12-8-15(3,4)10-16(5,6)9-12/h11-13H,7-10,17H2,1-6H3,(H,18,19)/t11-,13-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide?
(2S,3S)-2-amino-3-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 (2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide is sourced from PubChem (CID 103951343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).