methanediamine;titanium

CH6N2Ti — CID 175360985

IUPACmethanediamine;titanium
SMILESNCN.[Ti]
InChIInChI=1S/CH6N2.Ti/c2-1-3;/h1-3H2;
InChIKeyXIUVFGCSKZQVDF-UHFFFAOYSA-N
MW93.94 g/mol
LogP-1.14
Rot. Bonds

About methanediamine;titanium

methanediamine;titanium (PubChem CID 175360985) has the molecular formula CH6N2Ti and a molecular weight of 93.94 g/mol. Its IUPAC name is methanediamine;titanium.

Molecular Properties

Compound Namemethanediamine;titanium
PubChem CID175360985
Molecular FormulaCH6N2Ti
Molecular Weight93.94 g/mol
Exact Mass94.00
IUPAC Namemethanediamine;titanium
SMILESNCN.[Ti]
InChIInChI=1S/CH6N2.Ti/c2-1-3;/h1-3H2;
InChIKeyXIUVFGCSKZQVDF-UHFFFAOYSA-N
XLogP-1.14
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.94
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methanediamine;propane
CID 157068020
ethane;methane;methanediamine
CID 159003496
N'-deuteriomethanediamine
CID 164738496
2-aminoacetaldehyde;methanediamine
CID 163797808
CID 173101067
CID 173101067
ethane-1,2-diamine;hydron
CID 175410368
aminomethanolate
CID 59078979
ethane-1,2-diamine;gold(3+)
CID 159014710
azane;ethane-1,2-diamine
CID 172821054
ethane-1,2-diamine;gallane
CID 173293297
arsane;ethane-1,2-diamine
CID 174848098
CID 159340027
CID 159340027

Frequently Asked Questions

What is the IUPAC name of methanediamine;titanium?
The IUPAC name of methanediamine;titanium (CID 175360985) is methanediamine;titanium.
What is the SMILES notation for methanediamine;titanium?
The canonical SMILES for methanediamine;titanium is NCN.[Ti].
What is the InChIKey of methanediamine;titanium?
The InChIKey is XIUVFGCSKZQVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6N2.Ti/c2-1-3;/h1-3H2;.
What are the key properties of methanediamine;titanium?
methanediamine;titanium has a molecular weight of 93.94 g/mol, XLogP of -1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanediamine;titanium is sourced from PubChem (CID 175360985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).