azane;methanimine

C4H15N5 — CID 172707157

IUPACazane;methanimine
SMILESN.[H]N=C.[H]N=C.[H]N=C.[H]N=C
InChIInChI=1S/4CH3N.H3N/c4*1-2;/h4*2H,1H2;1H3
InChIKeyDSYLTHTXRDLWDP-UHFFFAOYSA-N
MW133.20 g/mol
LogP1.23
Rot. Bonds

About azane;methanimine

azane;methanimine (PubChem CID 172707157) has the molecular formula C4H15N5 and a molecular weight of 133.20 g/mol. Its IUPAC name is azane;methanimine.

Molecular Properties

Compound Nameazane;methanimine
PubChem CID172707157
Molecular FormulaC4H15N5
Molecular Weight133.20 g/mol
Exact Mass133.13
IUPAC Nameazane;methanimine
SMILESN.[H]N=C.[H]N=C.[H]N=C.[H]N=C
InChIInChI=1S/4CH3N.H3N/c4*1-2;/h4*2H,1H2;1H3
InChIKeyDSYLTHTXRDLWDP-UHFFFAOYSA-N
XLogP1.23
TPSA130.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.20
LogP ≤ 51.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;methanimine?
The IUPAC name of azane;methanimine (CID 172707157) is azane;methanimine.
What is the SMILES notation for azane;methanimine?
The canonical SMILES for azane;methanimine is N.[H]N=C.[H]N=C.[H]N=C.[H]N=C.
What is the InChIKey of azane;methanimine?
The InChIKey is DSYLTHTXRDLWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH3N.H3N/c4*1-2;/h4*2H,1H2;1H3.
What are the key properties of azane;methanimine?
azane;methanimine has a molecular weight of 133.20 g/mol, XLogP of 1.23, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methanimine is sourced from PubChem (CID 172707157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).