3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide

C12H24N2O — CID 61447077

IUPAC3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide
SMILESCC(N)CC(=O)N(C)C1CCCC(C)C1
InChIInChI=1S/C12H24N2O/c1-9-5-4-6-11(7-9)14(3)12(15)8-10(2)13/h9-11H,4-8,13H2,1-3H3
InChIKeyMBNCZEFDKLKYNY-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds3

About 3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide

3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide (PubChem CID 61447077) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide
PubChem CID61447077
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide
SMILESCC(N)CC(=O)N(C)C1CCCC(C)C1
InChIInChI=1S/C12H24N2O/c1-9-5-4-6-11(7-9)14(3)12(15)8-10(2)13/h9-11H,4-8,13H2,1-3H3
InChIKeyMBNCZEFDKLKYNY-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(3-methylcyclohexyl)-3-piperidin-4-ylbutanamide
CID 119717321
4-hydroxy-N-methyl-N-(3-methylcyclohexyl)pentanamide
CID 79192365
2-amino-N,3-dimethyl-N-(3-methylcyclohexyl)butanamide
CID 59011420
3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide
CID 119786339
7-amino-N-methyl-N-(3-methylcyclohexyl)heptanamide
CID 54949044
N-methyl-N-[(3S)-3-methylcyclohexyl]acetamide
CID 169132453
2-amino-3-methoxy-N-methyl-N-(3-methylcyclohexyl)propanamide
CID 81088861
2-amino-N-methyl-N-(3-methylcyclohexyl)pentanamide;hydrochloride
CID 119285987
2-(cyclopentylamino)-N-methyl-N-(3-methylcyclohexyl)acetamide
CID 54948955
3-amino-N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methylbutanamide
CID 120872786
2-amino-N-methyl-N-(3-methylcyclohexyl)hexanamide
CID 54949183
1-[2-[methyl-(3-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 61448226

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide?
The IUPAC name of 3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide (CID 61447077) is 3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide?
The canonical SMILES for 3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide is CC(N)CC(=O)N(C)C1CCCC(C)C1.
What is the InChIKey of 3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide?
The InChIKey is MBNCZEFDKLKYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-5-4-6-11(7-9)14(3)12(15)8-10(2)13/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide?
3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(3-methylcyclohexyl)butanamide is sourced from PubChem (CID 61447077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).