CID 135046880

C11H23N3Ti — CID 135046880

IUPAC—
SMILESC[N-]C.C[N-]C.C[N-]C.[CH]1C=CC=C1.[Ti+3]
InChIInChI=1S/C5H5.3C2H6N.Ti/c1-2-4-5-3-1;3*1-3-2;/h1-5H;3*1-2H3;/q;3*-1;+3
InChIKeyTXPAAJFKASNIGR-UHFFFAOYSA-N
MW245.19 g/mol
LogP3.17
Rot. Bonds

About CID 135046880

CID 135046880 (PubChem CID 135046880) has the molecular formula C11H23N3Ti and a molecular weight of 245.19 g/mol.

Molecular Properties

Compound NameCID 135046880
PubChem CID135046880
Molecular FormulaC11H23N3Ti
Molecular Weight245.19 g/mol
Exact Mass245.14
IUPAC Name—
SMILESC[N-]C.C[N-]C.C[N-]C.[CH]1C=CC=C1.[Ti+3]
InChIInChI=1S/C5H5.3C2H6N.Ti/c1-2-4-5-3-1;3*1-3-2;/h1-5H;3*1-2H3;/q;3*-1;+3
InChIKeyTXPAAJFKASNIGR-UHFFFAOYSA-N
XLogP3.17
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Bis(cyclopentadienyl)bis(dimethylamino)titanium
CID 21946355
CID 134889008
CID 134889008
CID 11085528
CID 11085528
N-[cyclopenta-2,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine
CID 15247421
N-[cyclopenta-1,4-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine
CID 134888025
N-[cyclopenta-1,3-dien-1-yl(dimethylamino)boranyl]-N-methylmethanamine
CID 134888131
cyclopenta-1,3-dien-1-yl(diethyl)borane;N,N-dimethylmethanamine
CID 135048996
Cyclopenta-1,3-diene;bis(dimethylazanide);titanium(3+)
CID 17922065
Carbanide;cyclopenta-1,3-diene;tris(dimethylazanide);zirconium(3+)
CID 18428881
Cyclopenta-1,3-diene;tris(diethylazanide);titanium(4+)
CID 18462450
cyclopenta-1,3-diene;N-ethyl-N-ethylethanamine;titanium(2+)
CID 18766758
CID 18766778
CID 18766778

Frequently Asked Questions

What is the IUPAC name of CID 135046880?
The IUPAC name of CID 135046880 (CID 135046880) is not available.
What is the SMILES notation for CID 135046880?
The canonical SMILES for CID 135046880 is C[N-]C.C[N-]C.C[N-]C.[CH]1C=CC=C1.[Ti+3].
What is the InChIKey of CID 135046880?
The InChIKey is TXPAAJFKASNIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3C2H6N.Ti/c1-2-4-5-3-1;3*1-3-2;/h1-5H;3*1-2H3;/q;3*-1;+3.
What are the key properties of CID 135046880?
CID 135046880 has a molecular weight of 245.19 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046880 is sourced from PubChem (CID 135046880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).