2,2-dimethyl-3-(4-methylpentylamino)propanamide

C11H24N2O — CID 102672838

IUPAC2,2-dimethyl-3-(4-methylpentylamino)propanamide
SMILESCC(C)CCCNCC(C)(C)C(N)=O
InChIInChI=1S/C11H24N2O/c1-9(2)6-5-7-13-8-11(3,4)10(12)14/h9,13H,5-8H2,1-4H3,(H2,12,14)
InChIKeyYDQWKCRRRFESBK-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.52
Rot. Bonds7

About 2,2-dimethyl-3-(4-methylpentylamino)propanamide

2,2-dimethyl-3-(4-methylpentylamino)propanamide (PubChem CID 102672838) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylpentylamino)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylpentylamino)propanamide
PubChem CID102672838
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2,2-dimethyl-3-(4-methylpentylamino)propanamide
SMILESCC(C)CCCNCC(C)(C)C(N)=O
InChIInChI=1S/C11H24N2O/c1-9(2)6-5-7-13-8-11(3,4)10(12)14/h9,13H,5-8H2,1-4H3,(H2,12,14)
InChIKeyYDQWKCRRRFESBK-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-3-(4-methylsulfanylbutylamino)propanamide
CID 106275046
2-(4-methylpentylamino)ethyl carbamate
CID 83210369
methyl 2-hydroxy-2-methyl-3-(4-methylpentylamino)propanoate
CID 104644089
3-(2-methoxyethylamino)-2,2-dimethylpropanamide
CID 106276159
3-[(3-hydroxy-3-methylbutyl)amino]-2,2-dimethylpropanamide
CID 106276316
2-(5-methylhexylamino)acetamide
CID 115325450
ethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]propanoate
CID 106276054
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
2-methyl-2-[(5-methylhexylamino)methyl]propane-1,3-diol
CID 115325569
N-[2-methyl-1-(4-methylpentylamino)propan-2-yl]methanesulfonamide
CID 83156501
4-methyl-N-(4-methylpentyl)pentan-1-amine;nitrous acid
CID 173099376
2-amino-4-(4-methylpentylamino)butanoic acid
CID 115241308

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylpentylamino)propanamide?
The IUPAC name of 2,2-dimethyl-3-(4-methylpentylamino)propanamide (CID 102672838) is 2,2-dimethyl-3-(4-methylpentylamino)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylpentylamino)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(4-methylpentylamino)propanamide is CC(C)CCCNCC(C)(C)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-(4-methylpentylamino)propanamide?
The InChIKey is YDQWKCRRRFESBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)6-5-7-13-8-11(3,4)10(12)14/h9,13H,5-8H2,1-4H3,(H2,12,14).
What are the key properties of 2,2-dimethyl-3-(4-methylpentylamino)propanamide?
2,2-dimethyl-3-(4-methylpentylamino)propanamide has a molecular weight of 200.33 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylpentylamino)propanamide is sourced from PubChem (CID 102672838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).