2-(3-methylbut-3-enylamino)propanamide

C8H16N2O — CID 114472047

IUPAC2-(3-methylbut-3-enylamino)propanamide
SMILESC=C(C)CCNC(C)C(N)=O
InChIInChI=1S/C8H16N2O/c1-6(2)4-5-10-7(3)8(9)11/h7,10H,1,4-5H2,2-3H3,(H2,9,11)
InChIKeyVGTJPLYIIBRLRU-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.42
Rot. Bonds5

About 2-(3-methylbut-3-enylamino)propanamide

2-(3-methylbut-3-enylamino)propanamide (PubChem CID 114472047) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-(3-methylbut-3-enylamino)propanamide.

Molecular Properties

Compound Name2-(3-methylbut-3-enylamino)propanamide
PubChem CID114472047
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-(3-methylbut-3-enylamino)propanamide
SMILESC=C(C)CCNC(C)C(N)=O
InChIInChI=1S/C8H16N2O/c1-6(2)4-5-10-7(3)8(9)11/h7,10H,1,4-5H2,2-3H3,(H2,9,11)
InChIKeyVGTJPLYIIBRLRU-UHFFFAOYSA-N
XLogP0.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(3-methylbut-3-enylamino)propanoate
CID 114472161
2-(propylamino)propanamide
CID 43086178
2-(2-aminoethylamino)propanamide
CID 20551229
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
(2S)-2-(propylamino)propanamide
CID 28835957
2-(3-methylbutylamino)propanamide
CID 43086017
2-(3-hydroxypropylamino)propanamide
CID 43392787
2-(ethylamino)propanamide;2-methylprop-2-enoic acid
CID 174432315
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-(2-methylsulfanylethylamino)propanamide
CID 60672708
2-(3-fluoropropylamino)propanamide
CID 81105726
2-methyl-N-(3-methylbut-3-enyl)propanamide
CID 59532958

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-3-enylamino)propanamide?
The IUPAC name of 2-(3-methylbut-3-enylamino)propanamide (CID 114472047) is 2-(3-methylbut-3-enylamino)propanamide.
What is the SMILES notation for 2-(3-methylbut-3-enylamino)propanamide?
The canonical SMILES for 2-(3-methylbut-3-enylamino)propanamide is C=C(C)CCNC(C)C(N)=O.
What is the InChIKey of 2-(3-methylbut-3-enylamino)propanamide?
The InChIKey is VGTJPLYIIBRLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)4-5-10-7(3)8(9)11/h7,10H,1,4-5H2,2-3H3,(H2,9,11).
What are the key properties of 2-(3-methylbut-3-enylamino)propanamide?
2-(3-methylbut-3-enylamino)propanamide has a molecular weight of 156.23 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-3-enylamino)propanamide is sourced from PubChem (CID 114472047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).