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

C10H16N4 — CID 177246157

IUPAC2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile
SMILESC=C(C#N)/C=N\C(=C)N(C)CCNC
InChIInChI=1S/C10H16N4/c1-9(7-11)8-13-10(2)14(4)6-5-12-3/h8,12H,1-2,5-6H2,3-4H3/b13-8-
InChIKeySNBYQEZSCRARPN-JYRVWZFOSA-N
MW192.27 g/mol
LogP0.76
Rot. Bonds6

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

2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile (PubChem CID 177246157) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile.

Molecular Properties

Compound Name2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile
PubChem CID177246157
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile
SMILESC=C(C#N)/C=N\C(=C)N(C)CCNC
InChIInChI=1S/C10H16N4/c1-9(7-11)8-13-10(2)14(4)6-5-12-3/h8,12H,1-2,5-6H2,3-4H3/b13-8-
InChIKeySNBYQEZSCRARPN-JYRVWZFOSA-N
XLogP0.76
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dimethyl-N'-[1-[(Z)-2-methylprop-2-enylideneamino]ethenyl]ethane-1,2-diamine
CID 143011684
2-[(Z)-1-[2-(dimethylamino)ethyl-methylamino]ethenyliminomethyl]prop-2-enenitrile
CID 143795980

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile?
The IUPAC name of 2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile (CID 177246157) is 2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile.
What is the SMILES notation for 2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile?
The canonical SMILES for 2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile is C=C(C#N)/C=N\C(=C)N(C)CCNC.
What is the InChIKey of 2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile?
The InChIKey is SNBYQEZSCRARPN-JYRVWZFOSA-N. The full InChI is InChI=1S/C10H16N4/c1-9(7-11)8-13-10(2)14(4)6-5-12-3/h8,12H,1-2,5-6H2,3-4H3/b13-8-.
What are the key properties of 2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile?
2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile has a molecular weight of 192.27 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-[methyl-[2-(methylamino)ethyl]amino]ethenyliminomethyl]prop-2-enenitrile is sourced from PubChem (CID 177246157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).