N-methyl-N-prop-2-enylmethanimidamide

C5H10N2 — CID 123744867

IUPACN-methyl-N-prop-2-enylmethanimidamide
SMILES[H]/N=C/N(C)CC=C
InChIInChI=1S/C5H10N2/c1-3-4-7(2)5-6/h3,5-6H,1,4H2,2H3/b6-5+
InChIKeyJTSFMBMSDYSSCP-AATRIKPKSA-N
MW98.15 g/mol
LogP0.71
Rot. Bonds3

About N-methyl-N-prop-2-enylmethanimidamide

N-methyl-N-prop-2-enylmethanimidamide (PubChem CID 123744867) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is N-methyl-N-prop-2-enylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enylmethanimidamide
PubChem CID123744867
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC NameN-methyl-N-prop-2-enylmethanimidamide
SMILES[H]/N=C/N(C)CC=C
InChIInChI=1S/C5H10N2/c1-3-4-7(2)5-6/h3,5-6H,1,4H2,2H3/b6-5+
InChIKeyJTSFMBMSDYSSCP-AATRIKPKSA-N
XLogP0.71
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.71
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enylmethanimidamide?
The IUPAC name of N-methyl-N-prop-2-enylmethanimidamide (CID 123744867) is N-methyl-N-prop-2-enylmethanimidamide.
What is the SMILES notation for N-methyl-N-prop-2-enylmethanimidamide?
The canonical SMILES for N-methyl-N-prop-2-enylmethanimidamide is [H]/N=C/N(C)CC=C.
What is the InChIKey of N-methyl-N-prop-2-enylmethanimidamide?
The InChIKey is JTSFMBMSDYSSCP-AATRIKPKSA-N. The full InChI is InChI=1S/C5H10N2/c1-3-4-7(2)5-6/h3,5-6H,1,4H2,2H3/b6-5+.
What are the key properties of N-methyl-N-prop-2-enylmethanimidamide?
N-methyl-N-prop-2-enylmethanimidamide has a molecular weight of 98.15 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enylmethanimidamide is sourced from PubChem (CID 123744867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).