molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine

C4H10N2 — CID 142312108

IUPACmolecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine
SMILESC=C/C=N\NC.[H][H]
InChIInChI=1S/C4H8N2.H2/c1-3-4-6-5-2;/h3-5H,1H2,2H3;1H/b6-4-;
InChIKeyYDPONQMCCHWMLQ-YHSAGPEESA-N
MW86.14 g/mol
LogP0.62
Rot. Bonds2

About molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine

molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine (PubChem CID 142312108) has the molecular formula C4H10N2 and a molecular weight of 86.14 g/mol. Its IUPAC name is molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine.

Molecular Properties

Compound Namemolecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine
PubChem CID142312108
Molecular FormulaC4H10N2
Molecular Weight86.14 g/mol
Exact Mass86.08
IUPAC Namemolecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine
SMILESC=C/C=N\NC.[H][H]
InChIInChI=1S/C4H8N2.H2/c1-3-4-6-5-2;/h3-5H,1H2,2H3;1H/b6-4-;
InChIKeyYDPONQMCCHWMLQ-YHSAGPEESA-N
XLogP0.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.14
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine?
The IUPAC name of molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine (CID 142312108) is molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine.
What is the SMILES notation for molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine?
The canonical SMILES for molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine is C=C/C=N\NC.[H][H].
What is the InChIKey of molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine?
The InChIKey is YDPONQMCCHWMLQ-YHSAGPEESA-N. The full InChI is InChI=1S/C4H8N2.H2/c1-3-4-6-5-2;/h3-5H,1H2,2H3;1H/b6-4-;.
What are the key properties of molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine?
molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine has a molecular weight of 86.14 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[(Z)-prop-2-enylideneamino]methanamine is sourced from PubChem (CID 142312108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).