2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile

C11H18N4 — CID 143795980

IUPAC2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile
SMILESC=C(C#N)/C=N\C(=C)N(C)CCN(C)C
InChIInChI=1S/C11H18N4/c1-10(8-12)9-13-11(2)15(5)7-6-14(3)4/h9H,1-2,6-7H2,3-5H3/b13-9-
InChIKeyYDIKQTFBJJDIQX-LCYFTJDESA-N
MW206.29 g/mol
LogP1.10
Rot. Bonds6

About 2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile

2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile (PubChem CID 143795980) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile.

Molecular Properties

Compound Name2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile
PubChem CID143795980
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile
SMILESC=C(C#N)/C=N\C(=C)N(C)CCN(C)C
InChIInChI=1S/C11H18N4/c1-10(8-12)9-13-11(2)15(5)7-6-14(3)4/h9H,1-2,6-7H2,3-5H3/b13-9-
InChIKeyYDIKQTFBJJDIQX-LCYFTJDESA-N
XLogP1.10
TPSA42.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958189
N,N,N'-trimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143958190
ethane;N-ethyl-N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 144461266
2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile
CID 177246157
N-ethyl-N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 144461267

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile?
The IUPAC name of 2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile (CID 143795980) is 2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile.
What is the SMILES notation for 2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile?
The canonical SMILES for 2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile is C=C(C#N)/C=N\C(=C)N(C)CCN(C)C.
What is the InChIKey of 2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile?
The InChIKey is YDIKQTFBJJDIQX-LCYFTJDESA-N. The full InChI is InChI=1S/C11H18N4/c1-10(8-12)9-13-11(2)15(5)7-6-14(3)4/h9H,1-2,6-7H2,3-5H3/b13-9-.
What are the key properties of 2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile?
2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile has a molecular weight of 206.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile is sourced from PubChem (CID 143795980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).