N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide

C7H14N2 — CID 143200708

IUPACN,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide
SMILESC/C=C/N(C)/C(C)=N/C
InChIInChI=1S/C7H14N2/c1-5-6-9(4)7(2)8-3/h5-6H,1-4H3/b6-5+,8-7+
InChIKeyQXJDCZHHJPOLBS-BSWSSELBSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds1

About N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide

N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide (PubChem CID 143200708) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide
PubChem CID143200708
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide
SMILESC/C=C/N(C)/C(C)=N/C
InChIInChI=1S/C7H14N2/c1-5-6-9(4)7(2)8-3/h5-6H,1-4H3/b6-5+,8-7+
InChIKeyQXJDCZHHJPOLBS-BSWSSELBSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.50
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'}

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Related Compounds

N-(1-Methyl-2(1H)-pyrimidinylidene)methanamine
CID 21719087
Pyrimidine, 2-ethylimino-1,2-dihydro-1-methyl-
CID 89030559
N,N-dimethyl-N'-[(E)-prop-1-enyl]-methanimidamide
CID 24976956
2-(Azaethylidene)-1-methylhydropyridine
CID 4463569
1,2-Bis(ethenyl)-1-methylimidazol-1-ium
CID 20040771
1,1,2-Trimethylimidazol-1-ium
CID 21650257
2-Ethenyl-1,1-dimethylimidazol-1-ium chloride
CID 22247459
2-Ethenyl-1,1-dimethylimidazol-1-ium
CID 22247460
2-Ethyl-1-methyl-1,4-dihydropyrimidine
CID 45087198
1-Ethyl-2-methyl-1,4-dihydropyrimidine
CID 45087199
Pyrantel Embonate Impurity I
CID 54555363
1,2-dimethyl-4H-pyrimidine
CID 58417989

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide?
The IUPAC name of N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide (CID 143200708) is N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide?
The canonical SMILES for N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide is C/C=C/N(C)/C(C)=N/C.
What is the InChIKey of N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide?
The InChIKey is QXJDCZHHJPOLBS-BSWSSELBSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-6-9(4)7(2)8-3/h5-6H,1-4H3/b6-5+,8-7+.
What are the key properties of N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide?
N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-[(E)-prop-1-enyl]ethanimidamide is sourced from PubChem (CID 143200708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).