N'-but-2-enyl-N-ethylmethanimidamide

C7H14N2 — CID 123918257

IUPACN'-but-2-enyl-N-ethylmethanimidamide
SMILESCC=CC/N=C/NCC
InChIInChI=1S/C7H14N2/c1-3-5-6-9-7-8-4-2/h3,5,7H,4,6H2,1-2H3,(H,8,9)
InChIKeyUUBMDAPLZOHOEM-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.20
Rot. Bonds4

About N'-but-2-enyl-N-ethylmethanimidamide

N'-but-2-enyl-N-ethylmethanimidamide (PubChem CID 123918257) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-but-2-enyl-N-ethylmethanimidamide.

Molecular Properties

Compound NameN'-but-2-enyl-N-ethylmethanimidamide
PubChem CID123918257
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-but-2-enyl-N-ethylmethanimidamide
SMILESCC=CC/N=C/NCC
InChIInChI=1S/C7H14N2/c1-3-5-6-9-7-8-4-2/h3,5,7H,4,6H2,1-2H3,(H,8,9)
InChIKeyUUBMDAPLZOHOEM-UHFFFAOYSA-N
XLogP1.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.20
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diallylguanidine
CID 15368370
N'-methyl-N-prop-2-enylethanimidamide
CID 12683067
2-Methyl-1-prop-2-enylguanidine
CID 18952267
6-Methyl-1,4-dihydropyrimidine
CID 19748724
1-(Diaminomethylidene)-2-methyl-3-prop-2-enylguanidine
CID 21534138
1,2-Dimethyl-3-prop-2-enylguanidine
CID 55218998
N,N'-bis(prop-2-enyl)methanimidamide
CID 55287141
4,5-dihydro-1H-imidazole;prop-2-en-1-amine
CID 70140878
2-Methyl-1-(3-methylbut-2-enyl)guanidine
CID 87780058
N'-methyl-N-[(2Z)-penta-2,4-dienyl]methanimidamide
CID 90250577
N'-methyl-N-[(Z)-3-(methylamino)prop-1-enyl]methanimidamide
CID 90452805
6-Methyl-1,4-dihydropyrimidin-4-amine
CID 90454007

Frequently Asked Questions

What is the IUPAC name of N'-but-2-enyl-N-ethylmethanimidamide?
The IUPAC name of N'-but-2-enyl-N-ethylmethanimidamide (CID 123918257) is N'-but-2-enyl-N-ethylmethanimidamide.
What is the SMILES notation for N'-but-2-enyl-N-ethylmethanimidamide?
The canonical SMILES for N'-but-2-enyl-N-ethylmethanimidamide is CC=CC/N=C/NCC.
What is the InChIKey of N'-but-2-enyl-N-ethylmethanimidamide?
The InChIKey is UUBMDAPLZOHOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-6-9-7-8-4-2/h3,5,7H,4,6H2,1-2H3,(H,8,9).
What are the key properties of N'-but-2-enyl-N-ethylmethanimidamide?
N'-but-2-enyl-N-ethylmethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-2-enyl-N-ethylmethanimidamide is sourced from PubChem (CID 123918257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).