ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine

C9H19N3 — CID 90919791

IUPACethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine
SMILESCC.[H]/N=C/C(=C\C=N\C)N(C)C
InChIInChI=1S/C7H13N3.C2H6/c1-9-5-4-7(6-8)10(2)3;1-2/h4-6,8H,1-3H3;1-2H3/b7-4+,8-6+,9-5+;
InChIKeyWWHGHYNTBALFFF-UNFJGJJFSA-N
MW169.27 g/mol
LogP1.81
Rot. Bonds3

About ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine

ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine (PubChem CID 90919791) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine.

Molecular Properties

Compound Nameethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine
PubChem CID90919791
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine
SMILESCC.[H]/N=C/C(=C\C=N\C)N(C)C
InChIInChI=1S/C7H13N3.C2H6/c1-9-5-4-7(6-8)10(2)3;1-2/h4-6,8H,1-3H3;1-2H3/b7-4+,8-6+,9-5+;
InChIKeyWWHGHYNTBALFFF-UNFJGJJFSA-N
XLogP1.81
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
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
(Z)-N-methyl-4-methyliminobut-2-en-2-amine
CID 55298255
(Z)-4-methyliminobut-2-en-2-amine
CID 57781891
(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine
CID 58845207
N-methyl-4-methyliminobut-2-en-2-amine
CID 76225037
4-Methyliminobut-2-en-2-amine
CID 76603952
[(Z)-2-amino-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 88929219
(Z)-4-ethylimino-N-methylbut-2-en-2-amine
CID 89130013
(Z)-4-prop-1-en-2-yliminobut-2-en-2-amine
CID 89170038
(2E,4Z)-N,N-dimethyl-1-methyliminohexa-2,4-dien-3-amine
CID 89531254
N'-[(Z)-but-2-en-2-yl]ethane-1,2-diimine
CID 89661479
(Z)-3-N-ethylidenebut-2-ene-1,3-diimine
CID 89712819

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine?
The IUPAC name of ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine (CID 90919791) is ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine.
What is the SMILES notation for ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine?
The canonical SMILES for ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine is CC.[H]/N=C/C(=C\C=N\C)N(C)C.
What is the InChIKey of ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine?
The InChIKey is WWHGHYNTBALFFF-UNFJGJJFSA-N. The full InChI is InChI=1S/C7H13N3.C2H6/c1-9-5-4-7(6-8)10(2)3;1-2/h4-6,8H,1-3H3;1-2H3/b7-4+,8-6+,9-5+;.
What are the key properties of ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine?
ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1-imino-N,N-dimethyl-4-methyliminobut-2-en-2-amine is sourced from PubChem (CID 90919791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).