CID 10362089

C18H26Cl2NTi+3 — CID 10362089

IUPAC—
SMILESCN1CCC(CC[C]2[CH][CH][CH][CH]2)CC1.Cl.[CH]1[CH][CH][CH][CH]1.[Cl-].[Ti+4]
InChIInChI=1S/C13H20N.C5H5.2ClH.Ti/c1-14-10-8-13(9-11-14)7-6-12-4-2-3-5-12;1-2-4-5-3-1;;;/h2-5,13H,6-11H2,1H3;1-5H;2*1H;/q;;;;+4/p-1
InChIKeyQWZRLLAUOURWLE-UHFFFAOYSA-M
MW375.19 g/mol
LogP0.96
Rot. Bonds3

About CID 10362089

CID 10362089 (PubChem CID 10362089) has the molecular formula C18H26Cl2NTi+3 and a molecular weight of 375.19 g/mol.

Molecular Properties

Compound NameCID 10362089
PubChem CID10362089
Molecular FormulaC18H26Cl2NTi+3
Molecular Weight375.19 g/mol
Exact Mass374.09
IUPAC Name—
SMILESCN1CCC(CC[C]2[CH][CH][CH][CH]2)CC1.Cl.[CH]1[CH][CH][CH][CH]1.[Cl-].[Ti+4]
InChIInChI=1S/C13H20N.C5H5.2ClH.Ti/c1-14-10-8-13(9-11-14)7-6-12-4-2-3-5-12;1-2-4-5-3-1;;;/h2-5,13H,6-11H2,1H3;1-5H;2*1H;/q;;;;+4/p-1
InChIKeyQWZRLLAUOURWLE-UHFFFAOYSA-M
XLogP0.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 10362089?
The IUPAC name of CID 10362089 (CID 10362089) is not available.
What is the SMILES notation for CID 10362089?
The canonical SMILES for CID 10362089 is CN1CCC(CC[C]2[CH][CH][CH][CH]2)CC1.Cl.[CH]1[CH][CH][CH][CH]1.[Cl-].[Ti+4].
What is the InChIKey of CID 10362089?
The InChIKey is QWZRLLAUOURWLE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H20N.C5H5.2ClH.Ti/c1-14-10-8-13(9-11-14)7-6-12-4-2-3-5-12;1-2-4-5-3-1;;;/h2-5,13H,6-11H2,1H3;1-5H;2*1H;/q;;;;+4/p-1.
What are the key properties of CID 10362089?
CID 10362089 has a molecular weight of 375.19 g/mol, XLogP of 0.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10362089 is sourced from PubChem (CID 10362089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).