prop-2-ene-1,1-diamine;titanium

C3H8N2Ti — CID 174369979

IUPACprop-2-ene-1,1-diamine;titanium
SMILESC=CC(N)N.[Ti]
InChIInChI=1S/C3H8N2.Ti/c1-2-3(4)5;/h2-3H,1,4-5H2;
InChIKeyWCSLVVUPKFHCJK-UHFFFAOYSA-N
MW119.98 g/mol
LogP-0.59
Rot. Bonds1

About prop-2-ene-1,1-diamine;titanium

prop-2-ene-1,1-diamine;titanium (PubChem CID 174369979) has the molecular formula C3H8N2Ti and a molecular weight of 119.98 g/mol. Its IUPAC name is prop-2-ene-1,1-diamine;titanium.

Molecular Properties

Compound Nameprop-2-ene-1,1-diamine;titanium
PubChem CID174369979
Molecular FormulaC3H8N2Ti
Molecular Weight119.98 g/mol
Exact Mass120.02
IUPAC Nameprop-2-ene-1,1-diamine;titanium
SMILESC=CC(N)N.[Ti]
InChIInChI=1S/C3H8N2.Ti/c1-2-3(4)5;/h2-3H,1,4-5H2;
InChIKeyWCSLVVUPKFHCJK-UHFFFAOYSA-N
XLogP-0.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.98
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-ene-1,1-diamine;titanium?
The IUPAC name of prop-2-ene-1,1-diamine;titanium (CID 174369979) is prop-2-ene-1,1-diamine;titanium.
What is the SMILES notation for prop-2-ene-1,1-diamine;titanium?
The canonical SMILES for prop-2-ene-1,1-diamine;titanium is C=CC(N)N.[Ti].
What is the InChIKey of prop-2-ene-1,1-diamine;titanium?
The InChIKey is WCSLVVUPKFHCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2.Ti/c1-2-3(4)5;/h2-3H,1,4-5H2;.
What are the key properties of prop-2-ene-1,1-diamine;titanium?
prop-2-ene-1,1-diamine;titanium has a molecular weight of 119.98 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ene-1,1-diamine;titanium is sourced from PubChem (CID 174369979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).