(2S)-2-amino-N-(1-methylcyclobutyl)hexanamide

C11H22N2O — CID 103950943

IUPAC(2S)-2-amino-N-(1-methylcyclobutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC1(C)CCC1
InChIInChI=1S/C11H22N2O/c1-3-4-6-9(12)10(14)13-11(2)7-5-8-11/h9H,3-8,12H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyFLUSDFSNMYGSKS-VIFPVBQESA-N
MW198.31 g/mol
LogP1.56
Rot. Bonds5

About (2S)-2-amino-N-(1-methylcyclobutyl)hexanamide

(2S)-2-amino-N-(1-methylcyclobutyl)hexanamide (PubChem CID 103950943) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-methylcyclobutyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-methylcyclobutyl)hexanamide
PubChem CID103950943
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-amino-N-(1-methylcyclobutyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NC1(C)CCC1
InChIInChI=1S/C11H22N2O/c1-3-4-6-9(12)10(14)13-11(2)7-5-8-11/h9H,3-8,12H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyFLUSDFSNMYGSKS-VIFPVBQESA-N
XLogP1.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-methylcyclopropyl)pentanamide
CID 115734282
(2R)-2-amino-4-methyl-N-(1-methylcyclobutyl)pentanamide
CID 104904023
2-[1-(2-aminohexanoylamino)cyclopentyl]acetic acid
CID 64702103
2-amino-N-[(1-methylcyclohexyl)methyl]hexanamide
CID 103832772
(2S)-2-amino-N-(1-methylcyclopropyl)-4-methylsulfanylbutanamide
CID 103833144
(2S)-2-amino-N-(2,2-dimethylcyclopentyl)hexanamide
CID 103831777
1-(2-aminohexanoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61160800
1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309229
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-methylcyclobutyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(1-methylcyclobutyl)hexanamide (CID 103950943) is (2S)-2-amino-N-(1-methylcyclobutyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-methylcyclobutyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(1-methylcyclobutyl)hexanamide is CCCC[C@H](N)C(=O)NC1(C)CCC1.
What is the InChIKey of (2S)-2-amino-N-(1-methylcyclobutyl)hexanamide?
The InChIKey is FLUSDFSNMYGSKS-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-6-9(12)10(14)13-11(2)7-5-8-11/h9H,3-8,12H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-methylcyclobutyl)hexanamide?
(2S)-2-amino-N-(1-methylcyclobutyl)hexanamide has a molecular weight of 198.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-methylcyclobutyl)hexanamide is sourced from PubChem (CID 103950943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).