CID 174379697

C6H14B2NTi — CID 174379697

IUPAC—
SMILES[B][B]N(C(C)C)C(C)C.[Ti]
InChIInChI=1S/C6H14B2N.Ti/c1-5(2)9(8-7)6(3)4;/h5-6H,1-4H3;
InChIKeyUSJAEIFLJFQUIY-UHFFFAOYSA-N
MW169.68 g/mol
LogP0.81
Rot. Bonds3

About CID 174379697

CID 174379697 (PubChem CID 174379697) has the molecular formula C6H14B2NTi and a molecular weight of 169.68 g/mol.

Molecular Properties

Compound NameCID 174379697
PubChem CID174379697
Molecular FormulaC6H14B2NTi
Molecular Weight169.68 g/mol
Exact Mass170.08
IUPAC Name—
SMILES[B][B]N(C(C)C)C(C)C.[Ti]
InChIInChI=1S/C6H14B2N.Ti/c1-5(2)9(8-7)6(3)4;/h5-6H,1-4H3;
InChIKeyUSJAEIFLJFQUIY-UHFFFAOYSA-N
XLogP0.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.68
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 54448935
CID 87866198
CID 87866198
CID 125471814
CID 125471814
bis[di(propan-2-yl)amino]methylidenerhodium
CID 151616731
tris(di(propan-2-yl)carbamic acid);titanium
CID 11812839
CID 166497862
CID 166497862
CID 87991236
CID 87991236
N,N-di(propan-2-yl)propan-2-amine;hydrate
CID 173081552
N,N-dimethylpropan-2-amine;ethane
CID 143195472
CID 173280324
CID 173280324
CID 158901253
CID 158901253
N-ethyl-N-propan-2-ylpropan-2-amine;titanium;hydrochloride
CID 174277868

Frequently Asked Questions

What is the IUPAC name of CID 174379697?
The IUPAC name of CID 174379697 (CID 174379697) is not available.
What is the SMILES notation for CID 174379697?
The canonical SMILES for CID 174379697 is [B][B]N(C(C)C)C(C)C.[Ti].
What is the InChIKey of CID 174379697?
The InChIKey is USJAEIFLJFQUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14B2N.Ti/c1-5(2)9(8-7)6(3)4;/h5-6H,1-4H3;.
What are the key properties of CID 174379697?
CID 174379697 has a molecular weight of 169.68 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174379697 is sourced from PubChem (CID 174379697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).