N,N-dimethyl-4-methyliminobut-2-en-2-amine

C7H14N2 — CID 90723290

IUPACN,N-dimethyl-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C=C(C)N(C)C
InChIInChI=1S/C7H14N2/c1-7(9(3)4)5-6-8-2/h5-6H,1-4H3/b7-5?,8-6+
InChIKeyVDFJRYLYSSUUAN-LERWJUDQSA-N
MW126.20 g/mol
LogP1.15
Rot. Bonds2

About N,N-dimethyl-4-methyliminobut-2-en-2-amine

N,N-dimethyl-4-methyliminobut-2-en-2-amine (PubChem CID 90723290) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N,N-dimethyl-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-methyliminobut-2-en-2-amine
PubChem CID90723290
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN,N-dimethyl-4-methyliminobut-2-en-2-amine
SMILESC/N=C/C=C(C)N(C)C
InChIInChI=1S/C7H14N2/c1-7(9(3)4)5-6-8-2/h5-6H,1-4H3/b7-5?,8-6+
InChIKeyVDFJRYLYSSUUAN-LERWJUDQSA-N
XLogP1.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
(1E)-N,N-dimethyl-1-pyrrol-2-ylidenemethanamine
CID 13864872
Methanaminium, N-[3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 3994380
[(Z)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 96570747
N-[(E)-but-2-en-2-yl]ethanimine
CID 18719779
1,5-dimethyl-2H-pyrazine
CID 20164412
N-but-2-en-2-ylethanimine
CID 20749343
N-but-2-en-2-ylpropan-1-imine
CID 21054927
[(Z)-3-(dimethylamino)but-2-enylidene]-dimethylazanium
CID 21132459
Ethylidene-methyl-prop-1-en-2-ylazanium
CID 22082298
(E)-N-ethyl-N-methyl-3-methyliminoprop-1-en-1-amine
CID 22084454
6-Dimethylamino-1-azafulvene
CID 54170759

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-methyliminobut-2-en-2-amine?
The IUPAC name of N,N-dimethyl-4-methyliminobut-2-en-2-amine (CID 90723290) is N,N-dimethyl-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for N,N-dimethyl-4-methyliminobut-2-en-2-amine?
The canonical SMILES for N,N-dimethyl-4-methyliminobut-2-en-2-amine is C/N=C/C=C(C)N(C)C.
What is the InChIKey of N,N-dimethyl-4-methyliminobut-2-en-2-amine?
The InChIKey is VDFJRYLYSSUUAN-LERWJUDQSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(9(3)4)5-6-8-2/h5-6H,1-4H3/b7-5?,8-6+.
What are the key properties of N,N-dimethyl-4-methyliminobut-2-en-2-amine?
N,N-dimethyl-4-methyliminobut-2-en-2-amine has a molecular weight of 126.20 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 90723290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).