N-methylidenemethanimidamide;propane

C5H12N2 — CID 91588466

IUPACN-methylidenemethanimidamide;propane
SMILESCCC.[H]/N=C/N=C
InChIInChI=1S/C3H8.C2H4N2/c1-3-2;1-4-2-3/h3H2,1-2H3;2-3H,1H2/b;3-2+
InChIKeyJNSLKBUCYYYUQU-ZPYUXNTASA-N
MW100.16 g/mol
LogP1.71
Rot. Bonds1

About N-methylidenemethanimidamide;propane

N-methylidenemethanimidamide;propane (PubChem CID 91588466) has the molecular formula C5H12N2 and a molecular weight of 100.16 g/mol. Its IUPAC name is N-methylidenemethanimidamide;propane.

Molecular Properties

Compound NameN-methylidenemethanimidamide;propane
PubChem CID91588466
Molecular FormulaC5H12N2
Molecular Weight100.16 g/mol
Exact Mass100.10
IUPAC NameN-methylidenemethanimidamide;propane
SMILESCCC.[H]/N=C/N=C
InChIInChI=1S/C3H8.C2H4N2/c1-3-2;1-4-2-3/h3H2,1-2H3;2-3H,1H2/b;3-2+
InChIKeyJNSLKBUCYYYUQU-ZPYUXNTASA-N
XLogP1.71
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.16
LogP ≤ 51.71
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methylidenemethanimidamide;propane?
The IUPAC name of N-methylidenemethanimidamide;propane (CID 91588466) is N-methylidenemethanimidamide;propane.
What is the SMILES notation for N-methylidenemethanimidamide;propane?
The canonical SMILES for N-methylidenemethanimidamide;propane is CCC.[H]/N=C/N=C.
What is the InChIKey of N-methylidenemethanimidamide;propane?
The InChIKey is JNSLKBUCYYYUQU-ZPYUXNTASA-N. The full InChI is InChI=1S/C3H8.C2H4N2/c1-3-2;1-4-2-3/h3H2,1-2H3;2-3H,1H2/b;3-2+.
What are the key properties of N-methylidenemethanimidamide;propane?
N-methylidenemethanimidamide;propane has a molecular weight of 100.16 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidenemethanimidamide;propane is sourced from PubChem (CID 91588466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).