N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen

C5H12N2 — CID 171821241

IUPACN'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen
SMILESC=C(C)N/C=N/C.[H][H]
InChIInChI=1S/C5H10N2.H2/c1-5(2)7-4-6-3;/h4H,1H2,2-3H3,(H,6,7);1H
InChIKeyOFMRGFTVUVHANK-UHFFFAOYSA-N
MW100.16 g/mol
LogP1.01
Rot. Bonds2

About N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen

N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen (PubChem CID 171821241) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen.

Molecular Properties

Compound NameN'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen
PubChem CID171821241
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen
SMILESC=C(C)N/C=N/C.[H][H]
InChIInChI=1S/C5H10N2.H2/c1-5(2)7-4-6-3;/h4H,1H2,2-3H3,(H,6,7);1H
InChIKeyOFMRGFTVUVHANK-UHFFFAOYSA-N
XLogP1.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.01
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-prop-1-en-2-ylmethanimidamide;molecular hydrogen?
The IUPAC name of N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen (CID 171821241) is N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen.
What is the SMILES notation for N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen?
The canonical SMILES for N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen is C=C(C)N/C=N/C.[H][H].
What is the InChIKey of N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen?
The InChIKey is OFMRGFTVUVHANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.H2/c1-5(2)7-4-6-3;/h4H,1H2,2-3H3,(H,6,7);1H.
What are the key properties of N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen?
N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen has a molecular weight of 100.16 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-prop-1-en-2-ylmethanimidamide;molecular hydrogen is sourced from PubChem (CID 171821241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).