N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide

C7H14N2 — CID 89224815

IUPACN-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide
SMILESC/C=C/N=C/N(C)CC
InChIInChI=1S/C7H14N2/c1-4-6-8-7-9(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+,8-7+
InChIKeyMSZLFJPRCKJXDN-GFGVWQOPSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds3

About N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide

N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide (PubChem CID 89224815) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide
PubChem CID89224815
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide
SMILESC/C=C/N=C/N(C)CC
InChIInChI=1S/C7H14N2/c1-4-6-8-7-9(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+,8-7+
InChIKeyMSZLFJPRCKJXDN-GFGVWQOPSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.50
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide?
The IUPAC name of N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide (CID 89224815) is N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide is C/C=C/N=C/N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide?
The InChIKey is MSZLFJPRCKJXDN-GFGVWQOPSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-6-8-7-9(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+,8-7+.
What are the key properties of N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide?
N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 89224815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).