dichlorotitanium;N-hexylhexan-1-amine

C12H27Cl2NTi — CID 174298949

IUPACdichlorotitanium;N-hexylhexan-1-amine
SMILESCCCCCCNCCCCCC.Cl[Ti]Cl
InChIInChI=1S/C12H27N.2ClH.Ti/c1-3-5-7-9-11-13-12-10-8-6-4-2;;;/h13H,3-12H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeySZQITJIZPIQRRP-UHFFFAOYSA-L
MW304.13 g/mol
LogP5.11
Rot. Bonds10

About dichlorotitanium;N-hexylhexan-1-amine

dichlorotitanium;N-hexylhexan-1-amine (PubChem CID 174298949) has the molecular formula C12H27Cl2NTi and a molecular weight of 304.13 g/mol. Its IUPAC name is dichlorotitanium;N-hexylhexan-1-amine.

Molecular Properties

Compound Namedichlorotitanium;N-hexylhexan-1-amine
PubChem CID174298949
Molecular FormulaC12H27Cl2NTi
Molecular Weight304.13 g/mol
Exact Mass303.10
IUPAC Namedichlorotitanium;N-hexylhexan-1-amine
SMILESCCCCCCNCCCCCC.Cl[Ti]Cl
InChIInChI=1S/C12H27N.2ClH.Ti/c1-3-5-7-9-11-13-12-10-8-6-4-2;;;/h13H,3-12H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeySZQITJIZPIQRRP-UHFFFAOYSA-L
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.13
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
azane;N-hexyldecan-1-amine;dihydroiodide
CID 173206397

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;N-hexylhexan-1-amine?
The IUPAC name of dichlorotitanium;N-hexylhexan-1-amine (CID 174298949) is dichlorotitanium;N-hexylhexan-1-amine.
What is the SMILES notation for dichlorotitanium;N-hexylhexan-1-amine?
The canonical SMILES for dichlorotitanium;N-hexylhexan-1-amine is CCCCCCNCCCCCC.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;N-hexylhexan-1-amine?
The InChIKey is SZQITJIZPIQRRP-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H27N.2ClH.Ti/c1-3-5-7-9-11-13-12-10-8-6-4-2;;;/h13H,3-12H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;N-hexylhexan-1-amine?
dichlorotitanium;N-hexylhexan-1-amine has a molecular weight of 304.13 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;N-hexylhexan-1-amine is sourced from PubChem (CID 174298949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).