dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine

C15H30Cl2N2Ti — CID 174479679

IUPACdichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine
SMILESCl[Ti]Cl.NCCC(N)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H30N2.2ClH.Ti/c16-12-11-15(17,13-7-3-1-4-8-13)14-9-5-2-6-10-14;;;/h13-14H,1-12,16-17H2;2*1H;/q;;;+2/p-2
InChIKeyPQGYMYJPTHPXDW-UHFFFAOYSA-L
MW357.19 g/mol
LogP4.57
Rot. Bonds4

About dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine

dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine (PubChem CID 174479679) has the molecular formula C15H30Cl2N2Ti and a molecular weight of 357.19 g/mol. Its IUPAC name is dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine.

Molecular Properties

Compound Namedichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine
PubChem CID174479679
Molecular FormulaC15H30Cl2N2Ti
Molecular Weight357.19 g/mol
Exact Mass356.13
IUPAC Namedichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine
SMILESCl[Ti]Cl.NCCC(N)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H30N2.2ClH.Ti/c16-12-11-15(17,13-7-3-1-4-8-13)14-9-5-2-6-10-14;;;/h13-14H,1-12,16-17H2;2*1H;/q;;;+2/p-2
InChIKeyPQGYMYJPTHPXDW-UHFFFAOYSA-L
XLogP4.57
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dicyclohexylpropane-1,3-diamine
CID 57076927
copper;1,1-di(cyclooctyl)ethane-1,2-diamine
CID 118577975
3-amino-3,3-dicyclohexylpropanenitrile
CID 174404681
2,2,2-tricyclohexylethanamine
CID 57066061
2-amino-1-cycloheptyl-1-cyclopropylethanol
CID 82928815
2-cyclohexyl-2-methylpropan-1-amine
CID 19776368
2-cycloheptyl-2-methylpropan-1-amine
CID 82934909
3-cyclopropylbutane-1,3-diamine
CID 150088317
cyclodecyl(iodo)methanediamine
CID 156528266
2-cycloheptatriacontylethanamine
CID 70967764
3,3-dichloro-3-cyclohexylpropan-1-ol
CID 70420396
2-cyclohexyl-2-cyclopropylpropan-1-amine
CID 83828448

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine?
The IUPAC name of dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine (CID 174479679) is dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine.
What is the SMILES notation for dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine?
The canonical SMILES for dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine is Cl[Ti]Cl.NCCC(N)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine?
The InChIKey is PQGYMYJPTHPXDW-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H30N2.2ClH.Ti/c16-12-11-15(17,13-7-3-1-4-8-13)14-9-5-2-6-10-14;;;/h13-14H,1-12,16-17H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine?
dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine has a molecular weight of 357.19 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;1,1-dicyclohexylpropane-1,3-diamine is sourced from PubChem (CID 174479679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).