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

C5H10N2 — CID 143028866

IUPACN-methyl-N-[(E)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(C)/C=C/C
InChIInChI=1S/C5H10N2/c1-3-4-7(2)5-6/h3-6H,1-2H3/b4-3+,6-5+
InChIKeyCYBVOQANQTWBIA-VNKDHWASSA-N
MW98.15 g/mol
LogP1.06
Rot. Bonds2

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

N-methyl-N-[(E)-prop-1-enyl]methanimidamide (PubChem CID 143028866) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-methyl-N-[(E)-prop-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(E)-prop-1-enyl]methanimidamide
PubChem CID143028866
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-methyl-N-[(E)-prop-1-enyl]methanimidamide
SMILES[H]/N=C/N(C)/C=C/C
InChIInChI=1S/C5H10N2/c1-3-4-7(2)5-6/h3-6H,1-2H3/b4-3+,6-5+
InChIKeyCYBVOQANQTWBIA-VNKDHWASSA-N
XLogP1.06
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-prop-1-enyl]methanimidamide?
The IUPAC name of N-methyl-N-[(E)-prop-1-enyl]methanimidamide (CID 143028866) is N-methyl-N-[(E)-prop-1-enyl]methanimidamide.
What is the SMILES notation for N-methyl-N-[(E)-prop-1-enyl]methanimidamide?
The canonical SMILES for N-methyl-N-[(E)-prop-1-enyl]methanimidamide is [H]/N=C/N(C)/C=C/C.
What is the InChIKey of N-methyl-N-[(E)-prop-1-enyl]methanimidamide?
The InChIKey is CYBVOQANQTWBIA-VNKDHWASSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-4-7(2)5-6/h3-6H,1-2H3/b4-3+,6-5+.
What are the key properties of N-methyl-N-[(E)-prop-1-enyl]methanimidamide?
N-methyl-N-[(E)-prop-1-enyl]methanimidamide has a molecular weight of 98.15 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-prop-1-enyl]methanimidamide is sourced from PubChem (CID 143028866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).