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

C8H17N3 — CID 142050733

IUPAC2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane
SMILESC=N/C(CN)=N/C(=C)C.CC
InChIInChI=1S/C6H11N3.C2H6/c1-5(2)9-6(4-7)8-3;1-2/h1,3-4,7H2,2H3;1-2H3/b9-6+;
InChIKeyHMNTTXPIMLVMCW-MLBSPLJJSA-N
MW155.24 g/mol
LogP1.60
Rot. Bonds2

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

2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane (PubChem CID 142050733) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane.

Molecular Properties

Compound Name2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane
PubChem CID142050733
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane
SMILESC=N/C(CN)=N/C(=C)C.CC
InChIInChI=1S/C6H11N3.C2H6/c1-5(2)9-6(4-7)8-3;1-2/h1,3-4,7H2,2H3;1-2H3/b9-6+;
InChIKeyHMNTTXPIMLVMCW-MLBSPLJJSA-N
XLogP1.60
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.60
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

2-amino-N'-prop-1-en-2-ylethanimidamide
CID 126539608
N'-[(Z)-1-aminoprop-1-en-2-yl]ethanimidamide
CID 135244878
ethane;methanamine;N'-prop-1-en-2-ylethanimidamide
CID 142054627
ethane;N-methylidene-N'-prop-1-en-2-ylethanimidamide
CID 144079421
methanimine;N-propan-2-ylidene-N'-prop-1-en-2-ylmethanimidamide
CID 144170101
ethane;2-methylimino-N'-prop-1-en-2-ylethanimidamide
CID 153331511
N'-[(E)-1-aminoprop-1-en-2-yl]-N-ethylidenemethanimidamide
CID 167106240
N'-[(Z)-2-(methylideneamino)prop-1-enyl]ethanimidamide
CID 169621970
ethane;N-ethylidene-N'-prop-1-en-2-ylethanimidamide
CID 178102904
2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide
CID 142050734
2-methylimino-N'-prop-1-en-2-ylethanimidamide
CID 153331512

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane?
The IUPAC name of 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane (CID 142050733) is 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane.
What is the SMILES notation for 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane?
The canonical SMILES for 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane is C=N/C(CN)=N/C(=C)C.CC.
What is the InChIKey of 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane?
The InChIKey is HMNTTXPIMLVMCW-MLBSPLJJSA-N. The full InChI is InChI=1S/C6H11N3.C2H6/c1-5(2)9-6(4-7)8-3;1-2/h1,3-4,7H2,2H3;1-2H3/b9-6+;.
What are the key properties of 2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane?
2-amino-N-methylidene-N'-prop-1-en-2-ylethanimidamide;ethane has a molecular weight of 155.24 g/mol, XLogP of 1.60, 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;ethane is sourced from PubChem (CID 142050733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).