(E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide

C9H17N3O — CID 170192753

IUPAC(E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide
SMILES[H]/N=C/C(=C\N(C)CC(C)C)C(N)=O
InChIInChI=1S/C9H17N3O/c1-7(2)5-12(3)6-8(4-10)9(11)13/h4,6-7,10H,5H2,1-3H3,(H2,11,13)/b8-6+,10-4+
InChIKeyLIZNJWOJFLCEKS-PZEVYGMVSA-N
MW183.25 g/mol
LogP0.59
Rot. Bonds5

About (E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide

(E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide (PubChem CID 170192753) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide
PubChem CID170192753
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide
SMILES[H]/N=C/C(=C\N(C)CC(C)C)C(N)=O
InChIInChI=1S/C9H17N3O/c1-7(2)5-12(3)6-8(4-10)9(11)13/h4,6-7,10H,5H2,1-3H3,(H2,11,13)/b8-6+,10-4+
InChIKeyLIZNJWOJFLCEKS-PZEVYGMVSA-N
XLogP0.59
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-iminobutan-2-one
CID 174343794
(2E,4E)-3-methanimidoyl-6-methylhepta-2,4-dien-4-amine
CID 143255281
4-methanimidoylhex-4-en-3-one
CID 155692065
(Z)-4-imino-2,3-dimethylbut-2-enamide
CID 142465244
4-[methanimidoyl(methyl)amino]butanamide
CID 144851146
4-amino-5-methanimidoyl-7-methyloct-4-ene-2,6-dione
CID 173498344
N-(aminomethyl)-N-(2-methylpropyl)methanimidamide
CID 88959033
4-imino-2-methylbutanamide
CID 174442854
(Z)-3-methanimidoyl-2,2,6-trimethylhept-3-en-4-amine
CID 176949757
(E)-2-amino-4-imino-N,N-dimethyl-3-(methylamino)but-2-enamide
CID 153382620
(6-imino-2,4-dimethyl-5-oxohexan-2-yl) carbamate
CID 174513579
(Z)-2-methanimidoyl-3-methylpent-1-en-1-amine
CID 147081796

Frequently Asked Questions

What is the IUPAC name of (E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide?
The IUPAC name of (E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide (CID 170192753) is (E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide.
What is the SMILES notation for (E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide?
The canonical SMILES for (E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide is [H]/N=C/C(=C\N(C)CC(C)C)C(N)=O.
What is the InChIKey of (E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide?
The InChIKey is LIZNJWOJFLCEKS-PZEVYGMVSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)5-12(3)6-8(4-10)9(11)13/h4,6-7,10H,5H2,1-3H3,(H2,11,13)/b8-6+,10-4+.
What are the key properties of (E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide?
(E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methanimidoyl-3-[methyl(2-methylpropyl)amino]prop-2-enamide is sourced from PubChem (CID 170192753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).