N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine

C10H21N3 — CID 123608772

IUPACN,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine
SMILESC/N=C/C=C(C)N(C)CCN(C)C
InChIInChI=1S/C10H21N3/c1-10(6-7-11-2)13(5)9-8-12(3)4/h6-7H,8-9H2,1-5H3/b10-6?,11-7+
InChIKeyUDIZQJZTXHTSKR-DPWZYIFFSA-N
MW183.30 g/mol
LogP1.08
Rot. Bonds5

About N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine (PubChem CID 123608772) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine
PubChem CID123608772
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine
SMILESC/N=C/C=C(C)N(C)CCN(C)C
InChIInChI=1S/C10H21N3/c1-10(6-7-11-2)13(5)9-8-12(3)4/h6-7H,8-9H2,1-5H3/b10-6?,11-7+
InChIKeyUDIZQJZTXHTSKR-DPWZYIFFSA-N
XLogP1.08
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.08
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

[(Z)-3-(dimethylamino)but-2-enylidene]-dimethylazanium
CID 21132459
(8E)-1,9-dimethyl-2,3-dihydro-1,4,7-triazonine
CID 89898685
(6Z,8E)-1,3,9-trimethyl-2,3-dihydro-1,4-diazonine
CID 89898687
N,N-dimethyl-4-methyliminobut-2-en-2-amine
CID 90723290
ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine
CID 90919791
Ethane;1-ethyl-6-methyl-2-methylidenepyrimidine;propane
CID 91559484
But-2-en-2-yl-ethyl-ethylideneazanium
CID 123147050
(Z)-1-N-ethyl-2-N-ethylidenebut-2-ene-1,2-diimine
CID 123339109
3-[Ethenyl(methyl)amino]but-2-enylidene-dimethylazanium
CID 123347833
[3-(Dimethylamino)-2-[ethyl(methyl)amino]prop-2-enylidene]-dimethylazanium
CID 123420821
3-(4-Ethylpiperazin-1-yl)but-2-en-1-imine
CID 123604001
(E)-1-N-ethyl-3-N-ethylidenebut-2-ene-1,3-diimine
CID 129311119

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine (CID 123608772) is N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine is C/N=C/C=C(C)N(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine?
The InChIKey is UDIZQJZTXHTSKR-DPWZYIFFSA-N. The full InChI is InChI=1S/C10H21N3/c1-10(6-7-11-2)13(5)9-8-12(3)4/h6-7H,8-9H2,1-5H3/b10-6?,11-7+.
What are the key properties of N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine has a molecular weight of 183.30 g/mol, XLogP of 1.08, 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'-(4-methyliminobut-2-en-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 123608772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).