2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide

C13H26N2O — CID 59011420

IUPAC2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide
SMILESCC1CCCC(N(C)C(=O)C(N)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9(2)12(14)13(16)15(4)11-7-5-6-10(3)8-11/h9-12H,5-8,14H2,1-4H3
InChIKeyPNBRZBPREWEFBK-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds3

About 2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide

2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide (PubChem CID 59011420) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide
PubChem CID59011420
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide
SMILESCC1CCCC(N(C)C(=O)C(N)C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9(2)12(14)13(16)15(4)11-7-5-6-10(3)8-11/h9-12H,5-8,14H2,1-4H3
InChIKeyPNBRZBPREWEFBK-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cyclohexyl-N,3-dimethylbutanamide
CID 61149042
3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide
CID 61447077
2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide
CID 81088861
2-amino-N-methyl-N-(3-methylcyclohexyl)pentanamide;hydrochloride
CID 119285987
2-amino-N-methyl-N-(3-methylcyclohexyl)hexanamide
CID 54949183
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
(2R)-2-amino-N,3-dimethyl-N-(oxolan-3-yl)butanamide
CID 82738595
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
(2R)-2-amino-N-(2-hydroxycyclohexyl)-N,3-dimethylbutanamide
CID 102631964
4-hydroxy-N-methyl-N-(3-methylcyclohexyl)pentanamide
CID 79192365
(2S)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 61163036
(2R)-2-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N,3-dimethylbutanamide
CID 79012366

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide (CID 59011420) is 2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide is CC1CCCC(N(C)C(=O)C(N)C(C)C)C1.
What is the InChIKey of 2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide?
The InChIKey is PNBRZBPREWEFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)12(14)13(16)15(4)11-7-5-6-10(3)8-11/h9-12H,5-8,14H2,1-4H3.
What are the key properties of 2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide?
2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide has a molecular weight of 226.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide is sourced from PubChem (CID 59011420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).