2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide

C6H11N3 — CID 142050734

IUPAC2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=N/C(CN)=N/C(=C)C
InChIInChI=1S/C6H11N3/c1-5(2)9-6(4-7)8-3/h1,3-4,7H2,2H3/b9-6+
InChIKeyDVBDIZFNYCRDFF-RMKNXTFCSA-N
MW125.17 g/mol
LogP0.58
Rot. Bonds2

About 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide

2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide (PubChem CID 142050734) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Name2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide
PubChem CID142050734
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide
SMILESC=N/C(CN)=N/C(=C)C
InChIInChI=1S/C6H11N3/c1-5(2)9-6(4-7)8-3/h1,3-4,7H2,2H3/b9-6+
InChIKeyDVBDIZFNYCRDFF-RMKNXTFCSA-N
XLogP0.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-prop-1-en-2-ylmethanimidamide
CID 15791485
N'-[(Z)-1-aminoprop-1-en-2-yl]-N-methylidenemethanimidamide
CID 89362422
2-(ethylideneamino)-N'-(methyliminomethyl)prop-2-enimidamide
CID 89378957
N'-[(E)-2-aminoprop-1-enyl]ethanimidamide
CID 126539593
2-amino-N'-prop-1-en-2-ylethanimidamide
CID 126539608
N-ethylidene-N'-prop-1-en-2-ylethanimidamide
CID 130376868
N'-[(E)-2-(methylamino)prop-1-enyl]ethanimidamide
CID 134366012
N'-[(Z)-1-aminoprop-1-en-2-yl]ethanimidamide
CID 135244878
2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane
CID 142050733
ethane;methanamine;N'-prop-1-en-2-ylethanimidamide
CID 142054627
N'-[(Z)-1-aminoprop-1-en-2-yl]methanimidamide
CID 143425342
N-methylidene-N'-prop-1-en-2-ylethanimidamide
CID 144005965

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide?
The IUPAC name of 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide (CID 142050734) is 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide?
The canonical SMILES for 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide is C=N/C(CN)=N/C(=C)C.
What is the InChIKey of 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide?
The InChIKey is DVBDIZFNYCRDFF-RMKNXTFCSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)9-6(4-7)8-3/h1,3-4,7H2,2H3/b9-6+.
What are the key properties of 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide?
2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 142050734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).