N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide

C7H14N2 — CID 123493596

IUPACN-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide
SMILESC/C=C(/C)N/C=N/CC
InChIInChI=1S/C7H14N2/c1-4-7(3)9-6-8-5-2/h4,6H,5H2,1-3H3,(H,8,9)/b7-4-
InChIKeyLTYMOWNUKDCQLA-DAXSKMNVSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds3

About N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide

N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide (PubChem CID 123493596) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide
PubChem CID123493596
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide
SMILESC/C=C(/C)N/C=N/CC
InChIInChI=1S/C7H14N2/c1-4-7(3)9-6-8-5-2/h4,6H,5H2,1-3H3,(H,8,9)/b7-4-
InChIKeyLTYMOWNUKDCQLA-DAXSKMNVSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
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-[(E)-1-aminoprop-1-en-2-yl]-N'-(1-fluoroethyl)methanimidamide
CID 173795794
6-Methyl-1,4-dihydropyrimidine
CID 19748724
6-Ethyl-1,4-dihydropyrimidine
CID 19748726
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
7-Methylidene-1,4-dihydro-1,3-diazepine
CID 59437890
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817
4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
N'-[(Z)-1-(methylamino)prop-1-en-2-yl]methanimidamide
CID 88893590
6-ethylidene-N-methyl-1H-pyrimidin-4-amine
CID 89513878
N,6-dimethyl-1,4-dihydropyrimidin-4-amine
CID 90452821
N'-methyl-N-[(E)-1-(methyliminomethylamino)prop-1-en-2-yl]methanimidamide
CID 90453085
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide?
The IUPAC name of N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide (CID 123493596) is N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide.
What is the SMILES notation for N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide?
The canonical SMILES for N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide is C/C=C(/C)N/C=N/CC.
What is the InChIKey of N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide?
The InChIKey is LTYMOWNUKDCQLA-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7(3)9-6-8-5-2/h4,6H,5H2,1-3H3,(H,8,9)/b7-4-.
What are the key properties of N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide?
N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-en-2-yl]-N'-ethylmethanimidamide is sourced from PubChem (CID 123493596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).