4-amino-N-(2,4-dimethylcyclohexyl)butanamide

C12H24N2O — CID 63997351

IUPAC4-amino-N-(2,4-dimethylcyclohexyl)butanamide
SMILESCC1CCC(NC(=O)CCCN)C(C)C1
InChIInChI=1S/C12H24N2O/c1-9-5-6-11(10(2)8-9)14-12(15)4-3-7-13/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyDWRGQEHLMCLZMG-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.67
Rot. Bonds4

About 4-amino-N-(2,4-dimethylcyclohexyl)butanamide

4-amino-N-(2,4-dimethylcyclohexyl)butanamide (PubChem CID 63997351) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-amino-N-(2,4-dimethylcyclohexyl)butanamide.

Molecular Properties

Compound Name4-amino-N-(2,4-dimethylcyclohexyl)butanamide
PubChem CID63997351
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-amino-N-(2,4-dimethylcyclohexyl)butanamide
SMILESCC1CCC(NC(=O)CCCN)C(C)C1
InChIInChI=1S/C12H24N2O/c1-9-5-6-11(10(2)8-9)14-12(15)4-3-7-13/h9-11H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyDWRGQEHLMCLZMG-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylcyclohexyl)-4-(methylamino)butanamide;hydrochloride
CID 119784936
4-amino-N-(2-aminocyclopropyl)butanamide
CID 131206952
2-(aminomethyl)-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63996094
2-(4-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 64814362
1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide
CID 63996093
4-amino-N-(3-amino-5-methylcyclohexyl)butanamide
CID 143974251
(2S)-2-amino-N-(2,4-dimethylcyclohexyl)-3-methylbutanamide
CID 63999963
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
1-(2,4-dimethylcyclohexyl)-3-ethylurea
CID 115626414
4-(aminomethyl)-N-(2,4-dimethylcyclohexyl)oxane-4-carboxamide
CID 63995716
3-(2,4-dimethylcyclohexyl)-1,1-diethylurea
CID 115625378

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,4-dimethylcyclohexyl)butanamide?
The IUPAC name of 4-amino-N-(2,4-dimethylcyclohexyl)butanamide (CID 63997351) is 4-amino-N-(2,4-dimethylcyclohexyl)butanamide.
What is the SMILES notation for 4-amino-N-(2,4-dimethylcyclohexyl)butanamide?
The canonical SMILES for 4-amino-N-(2,4-dimethylcyclohexyl)butanamide is CC1CCC(NC(=O)CCCN)C(C)C1.
What is the InChIKey of 4-amino-N-(2,4-dimethylcyclohexyl)butanamide?
The InChIKey is DWRGQEHLMCLZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9-5-6-11(10(2)8-9)14-12(15)4-3-7-13/h9-11H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-N-(2,4-dimethylcyclohexyl)butanamide?
4-amino-N-(2,4-dimethylcyclohexyl)butanamide has a molecular weight of 212.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,4-dimethylcyclohexyl)butanamide is sourced from PubChem (CID 63997351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).