N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide

C7H14N2 — CID 90250316

IUPACN-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide
SMILESC/C=C/CN(C)/C=N/C
InChIInChI=1S/C7H14N2/c1-4-5-6-9(3)7-8-2/h4-5,7H,6H2,1-3H3/b5-4+,8-7+
InChIKeyQPSYTGFHEZSTRU-AOSYACOCSA-N
MW126.20 g/mol
LogP1.15
Rot. Bonds3

About N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide

N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide (PubChem CID 90250316) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide
PubChem CID90250316
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide
SMILESC/C=C/CN(C)/C=N/C
InChIInChI=1S/C7H14N2/c1-4-5-6-9(3)7-8-2/h4-5,7H,6H2,1-3H3/b5-4+,8-7+
InChIKeyQPSYTGFHEZSTRU-AOSYACOCSA-N
XLogP1.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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 ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-but-2-enyl-N-methylbut-2-en-1-amine
CID 91131221
ethane;N-ethyl-N,N'-dimethylmethanimidamide
CID 145475756
(E)-N-methyl-N-(methylideneamino)but-2-en-1-amine
CID 5364995
N-(2-methoxyethyl)-N,N'-dimethylmethanimidamide
CID 90250322
1,1-bis[(E)-but-2-enyl]hydrazine
CID 5367930
N-methyl-N-propylbut-2-en-1-amine
CID 123499797
(E)-N-methyl-N-prop-2-enylbut-2-en-1-amine
CID 54198139
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]-N,N'-dimethylmethanimidamide
CID 176943743
ethane;N,N,N'-trimethylmethanimidamide
CID 143804013
N,N-bis(but-2-enyl)formamide
CID 76548321
(Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine
CID 126607431
hepta-2,5-diene;rhodium
CID 159015179

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide?
The IUPAC name of N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide (CID 90250316) is N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide is C/C=C/CN(C)/C=N/C.
What is the InChIKey of N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide?
The InChIKey is QPSYTGFHEZSTRU-AOSYACOCSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-6-9(3)7-8-2/h4-5,7H,6H2,1-3H3/b5-4+,8-7+.
What are the key properties of N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide?
N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 90250316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).