3-amino-2-methyl-N-propylbut-2-enamide

C8H16N2O — CID 77255889

IUPAC3-amino-2-methyl-N-propylbut-2-enamide
SMILESCCCNC(=O)C(C)=C(C)N
InChIInChI=1S/C8H16N2O/c1-4-5-10-8(11)6(2)7(3)9/h4-5,9H2,1-3H3,(H,10,11)
InChIKeyKURHKGNUNBOJBQ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.77
Rot. Bonds3

About 3-amino-2-methyl-N-propylbut-2-enamide

3-amino-2-methyl-N-propylbut-2-enamide (PubChem CID 77255889) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 3-amino-2-methyl-N-propylbut-2-enamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-propylbut-2-enamide
PubChem CID77255889
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name3-amino-2-methyl-N-propylbut-2-enamide
SMILESCCCNC(=O)C(C)=C(C)N
InChIInChI=1S/C8H16N2O/c1-4-5-10-8(11)6(2)7(3)9/h4-5,9H2,1-3H3,(H,10,11)
InChIKeyKURHKGNUNBOJBQ-UHFFFAOYSA-N
XLogP0.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride
CID 87330833
(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide
CID 87242208
2-oxo-N-propylpropanamide
CID 13291521
N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide
CID 86248796
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
(E)-2-amino-N,N'-dipropylbut-2-enediamide
CID 90409713
(2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide
CID 176540372
3-imino-2-isocyano-N-propylprop-2-enamide
CID 176536379
(E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide
CID 142959993
2-[[amino(propylamino)methylidene]amino]acetic acid
CID 87703719
3-amino-2-oxo-N-propylhexanamide
CID 88906277

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-propylbut-2-enamide?
The IUPAC name of 3-amino-2-methyl-N-propylbut-2-enamide (CID 77255889) is 3-amino-2-methyl-N-propylbut-2-enamide.
What is the SMILES notation for 3-amino-2-methyl-N-propylbut-2-enamide?
The canonical SMILES for 3-amino-2-methyl-N-propylbut-2-enamide is CCCNC(=O)C(C)=C(C)N.
What is the InChIKey of 3-amino-2-methyl-N-propylbut-2-enamide?
The InChIKey is KURHKGNUNBOJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-5-10-8(11)6(2)7(3)9/h4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 3-amino-2-methyl-N-propylbut-2-enamide?
3-amino-2-methyl-N-propylbut-2-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-propylbut-2-enamide is sourced from PubChem (CID 77255889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).