(2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride

C14H29ClN2O — CID 119304536

IUPAC(2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC1CC(C)CCC1C(C)C.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-5-12(15)14(17)16-13-8-10(4)6-7-11(13)9(2)3;/h9-13H,5-8,15H2,1-4H3,(H,16,17);1H/t10?,11?,12-,13?;/m0./s1
InChIKeyLGXWZCKYMGUCSU-BTGIIJFRSA-N
MW276.85 g/mol
LogP2.72
Rot. Bonds4

About (2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride

(2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride (PubChem CID 119304536) has the molecular formula C14H29ClN2O and a molecular weight of 276.85 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
PubChem CID119304536
Molecular FormulaC14H29ClN2O
Molecular Weight276.85 g/mol
Exact Mass276.20
IUPAC Name(2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
SMILESCC[C@H](N)C(=O)NC1CC(C)CCC1C(C)C.Cl
InChIInChI=1S/C14H28N2O.ClH/c1-5-12(15)14(17)16-13-8-10(4)6-7-11(13)9(2)3;/h9-13H,5-8,15H2,1-4H3,(H,16,17);1H/t10?,11?,12-,13?;/m0./s1
InChIKeyLGXWZCKYMGUCSU-BTGIIJFRSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.85
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pentanamide
CID 43707055
3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 55110853
3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119750943
2-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 113225650
(2R)-2-amino-N-(2-propan-2-ylcyclohexyl)pentanamide
CID 103796389
3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid
CID 62934575
ethyl 3-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]carbamoylamino]butanoate
CID 58004825
2-amino-N-(2-methylcyclopentyl)butanamide
CID 63281650
(2R)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 103796818
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)pentanamide
CID 107569791
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]butanamide
CID 113250248
2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 61214396

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride (CID 119304536) is (2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride is CC[C@H](N)C(=O)NC1CC(C)CCC1C(C)C.Cl.
What is the InChIKey of (2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride?
The InChIKey is LGXWZCKYMGUCSU-BTGIIJFRSA-N. The full InChI is InChI=1S/C14H28N2O.ClH/c1-5-12(15)14(17)16-13-8-10(4)6-7-11(13)9(2)3;/h9-13H,5-8,15H2,1-4H3,(H,16,17);1H/t10?,11?,12-,13?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride?
(2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride has a molecular weight of 276.85 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride is sourced from PubChem (CID 119304536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).