2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide

C13H25N3O — CID 63224789

IUPAC2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C)C(C)CC#N
InChIInChI=1S/C13H25N3O/c1-10(2)7-9-15-13(17)12(4)16(5)11(3)6-8-14/h10-12H,6-7,9H2,1-5H3,(H,15,17)
InChIKeyDYYLFMOIPWNAAT-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.77
Rot. Bonds7

About 2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide

2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide (PubChem CID 63224789) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide
PubChem CID63224789
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N(C)C(C)CC#N
InChIInChI=1S/C13H25N3O/c1-10(2)7-9-15-13(17)12(4)16(5)11(3)6-8-14/h10-12H,6-7,9H2,1-5H3,(H,15,17)
InChIKeyDYYLFMOIPWNAAT-UHFFFAOYSA-N
XLogP1.77
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyanopropan-2-yl(methyl)amino]-N-phenylpropanamide
CID 63224513
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-(3-methylbutyl)propanamide
CID 63286664
2-[2-aminopropyl(methyl)amino]-N-(3-methylbutyl)propanamide
CID 63758993
1,3-bis(3-methylbutyl)urea
CID 22563958
(2S)-4-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839895
1-(1-cyanopropan-2-yl)-1-methyl-3-propylurea
CID 63224450
tert-butyl 2-[1-cyanopropan-2-yl(methyl)amino]propanoate
CID 66338517
2-[4-aminobutan-2-yl(methyl)amino]-N-butylpropanamide
CID 63225439
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-(3-methylbutyl)propanamide
CID 113227840
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
4-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 63228312
3-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 61010363

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide (CID 63224789) is 2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)N(C)C(C)CC#N.
What is the InChIKey of 2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide?
The InChIKey is DYYLFMOIPWNAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-10(2)7-9-15-13(17)12(4)16(5)11(3)6-8-14/h10-12H,6-7,9H2,1-5H3,(H,15,17).
What are the key properties of 2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide?
2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide has a molecular weight of 239.36 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanopropan-2-yl(methyl)amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 63224789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).