(Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide

C10H19N3O — CID 118490164

IUPAC(Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide
SMILESCCCN(C)/C=N/C=C(/C)C(=O)NC
InChIInChI=1S/C10H19N3O/c1-5-6-13(4)8-12-7-9(2)10(14)11-3/h7-8H,5-6H2,1-4H3,(H,11,14)/b9-7-,12-8+
InChIKeyRNLGUGMNOMYNFY-ZUQSVMQASA-N
MW197.28 g/mol
LogP1.01
Rot. Bonds5

About (Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide

(Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide (PubChem CID 118490164) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide
PubChem CID118490164
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide
SMILESCCCN(C)/C=N/C=C(/C)C(=O)NC
InChIInChI=1S/C10H19N3O/c1-5-6-13(4)8-12-7-9(2)10(14)11-3/h7-8H,5-6H2,1-4H3,(H,11,14)/b9-7-,12-8+
InChIKeyRNLGUGMNOMYNFY-ZUQSVMQASA-N
XLogP1.01
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide?
The IUPAC name of (Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide (CID 118490164) is (Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide.
What is the SMILES notation for (Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide?
The canonical SMILES for (Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide is CCCN(C)/C=N/C=C(/C)C(=O)NC.
What is the InChIKey of (Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide?
The InChIKey is RNLGUGMNOMYNFY-ZUQSVMQASA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-6-13(4)8-12-7-9(2)10(14)11-3/h7-8H,5-6H2,1-4H3,(H,11,14)/b9-7-,12-8+.
What are the key properties of (Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide?
(Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-dimethyl-3-[[methyl(propyl)amino]methylideneamino]prop-2-enamide is sourced from PubChem (CID 118490164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).