N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine

C8H17N3 — CID 163794272

IUPACN,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine
SMILESC=NC(=C)N(C)CCN(C)C
InChIInChI=1S/C8H17N3/c1-8(9-2)11(5)7-6-10(3)4/h1-2,6-7H2,3-5H3
InChIKeyMZLCMXVBIBKRBG-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.65
Rot. Bonds5

About N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine (PubChem CID 163794272) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine
PubChem CID163794272
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC NameN,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine
SMILESC=NC(=C)N(C)CCN(C)C
InChIInChI=1S/C8H17N3/c1-8(9-2)11(5)7-6-10(3)4/h1-2,6-7H2,3-5H3
InChIKeyMZLCMXVBIBKRBG-UHFFFAOYSA-N
XLogP0.65
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(ethenylideneamino)-N-methyl-N-[(methylideneamino)methyl]ethanamine
CID 53717340
1-N'-[2-(dimethylamino)ethyl]-1-N,1-N,1-N'-trimethylethene-1,1-diamine
CID 88571044
N-[1-(4-methylpiperazin-1-yl)ethenyl]methanimine
CID 123429548

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine (CID 163794272) is N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine is C=NC(=C)N(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine?
The InChIKey is MZLCMXVBIBKRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-8(9-2)11(5)7-6-10(3)4/h1-2,6-7H2,3-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine has a molecular weight of 155.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[1-(methylideneamino)ethenyl]ethane-1,2-diamine is sourced from PubChem (CID 163794272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).