(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride

C13H27ClN2O — CID 120874151

IUPAC(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC1CC(C)(C)CC(C)(C)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-9(14)11(16)15-10-6-12(2,3)8-13(4,5)7-10;/h9-10H,6-8,14H2,1-5H3,(H,15,16);1H/t9-;/m1./s1
InChIKeyNAPVFERVVMHOLJ-SBSPUUFOSA-N
MW262.82 g/mol
LogP2.48
Rot. Bonds2

About (2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride

(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride (PubChem CID 120874151) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is (2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride
PubChem CID120874151
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC1CC(C)(C)CC(C)(C)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-9(14)11(16)15-10-6-12(2,3)8-13(4,5)7-10;/h9-10H,6-8,14H2,1-5H3,(H,15,16);1H/t9-;/m1./s1
InChIKeyNAPVFERVVMHOLJ-SBSPUUFOSA-N
XLogP2.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 112639937
(2S,3S)-2-amino-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103951343
3-methyl-2-sulfanyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 107034259
2,3-dimethyl-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103499115
3-amino-4-oxo-4-[(3,3,5,5-tetramethylcyclohexyl)amino]butanoic acid
CID 103966570
2-carbamothioyl-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 103966863
3-amino-4-methyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103966622
(2R)-2-amino-N-(2,4,4-trimethylcyclohexyl)propanamide;hydrochloride
CID 119343794
2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 112639940
(2S)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)hexanamide
CID 103951340
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(3,3,5,5-tetramethylcyclohexyl)butanamide
CID 103968213
3-amino-4,4-dimethyl-N-(3,3,5,5-tetramethylcyclohexyl)pentanamide
CID 103966637

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride (CID 120874151) is (2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride is C[C@@H](N)C(=O)NC1CC(C)(C)CC(C)(C)C1.Cl.
What is the InChIKey of (2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride?
The InChIKey is NAPVFERVVMHOLJ-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-9(14)11(16)15-10-6-12(2,3)8-13(4,5)7-10;/h9-10H,6-8,14H2,1-5H3,(H,15,16);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride?
(2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3,3,5,5-tetramethylcyclohexyl)propanamide;hydrochloride is sourced from PubChem (CID 120874151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).