(Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride

C8H17ClN2O — CID 87330833

IUPAC(Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride
SMILESCCCNC(=O)/C(C)=C(/C)N.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-4-5-10-8(11)6(2)7(3)9;/h4-5,9H2,1-3H3,(H,10,11);1H/b7-6-;
InChIKeyMQWHZOWRNONYIS-NAFXZHHSSA-N
MW192.69 g/mol
LogP1.19
Rot. Bonds3

About (Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride

(Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride (PubChem CID 87330833) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is (Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride.

Molecular Properties

Compound Name(Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride
PubChem CID87330833
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name(Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride
SMILESCCCNC(=O)/C(C)=C(/C)N.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-4-5-10-8(11)6(2)7(3)9;/h4-5,9H2,1-3H3,(H,10,11);1H/b7-6-;
InChIKeyMQWHZOWRNONYIS-NAFXZHHSSA-N
XLogP1.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 51.19
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

3-amino-2-methyl-N-propylbut-2-enamide
CID 77255889
(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;hydrochloride
CID 87485783
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
(E)-2-amino-N,N'-dipropylbut-2-enediamide
CID 90409713
(2Z)-2-(1-aminoethylidene)-N-propylhepta-3,4,6-trienamide
CID 176540372
(E)-2-[(Z)-but-2-en-2-yl]-3-methyl-N-propylpent-2-enamide
CID 142959993
3-imino-2-isocyano-N-propylprop-2-enamide
CID 176536379
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 (Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride?
The IUPAC name of (Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride (CID 87330833) is (Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride.
What is the SMILES notation for (Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride?
The canonical SMILES for (Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride is CCCNC(=O)/C(C)=C(/C)N.Cl.
What is the InChIKey of (Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride?
The InChIKey is MQWHZOWRNONYIS-NAFXZHHSSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-4-5-10-8(11)6(2)7(3)9;/h4-5,9H2,1-3H3,(H,10,11);1H/b7-6-;.
What are the key properties of (Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride?
(Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride is sourced from PubChem (CID 87330833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).