N'-ethyl-N-prop-1-en-2-ylmethanimidamide

C6H12N2 — CID 91052461

IUPACN'-ethyl-N-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)N/C=N/CC
InChIInChI=1S/C6H12N2/c1-4-7-5-8-6(2)3/h5H,2,4H2,1,3H3,(H,7,8)
InChIKeyWHNPEEUBPIIRTA-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.16
Rot. Bonds3

About N'-ethyl-N-prop-1-en-2-ylmethanimidamide

N'-ethyl-N-prop-1-en-2-ylmethanimidamide (PubChem CID 91052461) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N'-ethyl-N-prop-1-en-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-prop-1-en-2-ylmethanimidamide
PubChem CID91052461
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN'-ethyl-N-prop-1-en-2-ylmethanimidamide
SMILESC=C(C)N/C=N/CC
InChIInChI=1S/C6H12N2/c1-4-7-5-8-6(2)3/h5H,2,4H2,1,3H3,(H,7,8)
InChIKeyWHNPEEUBPIIRTA-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.16
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

4-methyl-1H-imidazol-1-ium chloride
CID 53447252
N'-fluoro-N-prop-1-en-2-ylmethanimidamide
CID 173713590
N-[(E)-1-aminoprop-1-en-2-yl]-N'-(1-fluoroethyl)methanimidamide
CID 173795794
4-methyl-1H-imidazol-1-ium
CID 59048718
2-Methyl-1-prop-1-en-2-ylguanidine
CID 6713726
6-Methyl-1,4-dihydropyrimidine
CID 19748724
1-methanidyl-4-methyl-1H-imidazol-1-ium
CID 21353566
Carbanide;5-methyl-1,4-dihydroimidazol-4-ide;tungsten(2+)
CID 54681562
5-Methylidene-1,4-dihydroimidazole
CID 58182899
1,3,5-trimethyl-1H-imidazole-1,3-diium
CID 58187923
6-methylidene-4,5-dihydro-1H-pyrimidine
CID 59716033
N-but-2-en-2-yl-N'-methylmethanimidamide
CID 59874817

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-prop-1-en-2-ylmethanimidamide?
The IUPAC name of N'-ethyl-N-prop-1-en-2-ylmethanimidamide (CID 91052461) is N'-ethyl-N-prop-1-en-2-ylmethanimidamide.
What is the SMILES notation for N'-ethyl-N-prop-1-en-2-ylmethanimidamide?
The canonical SMILES for N'-ethyl-N-prop-1-en-2-ylmethanimidamide is C=C(C)N/C=N/CC.
What is the InChIKey of N'-ethyl-N-prop-1-en-2-ylmethanimidamide?
The InChIKey is WHNPEEUBPIIRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-4-7-5-8-6(2)3/h5H,2,4H2,1,3H3,(H,7,8).
What are the key properties of N'-ethyl-N-prop-1-en-2-ylmethanimidamide?
N'-ethyl-N-prop-1-en-2-ylmethanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-prop-1-en-2-ylmethanimidamide is sourced from PubChem (CID 91052461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).