dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine

C11H25Cl2NOTi — CID 174305097

IUPACdichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine
SMILESCCCOC(C)N(C(C)C)C(C)C.Cl[Ti]Cl
InChIInChI=1S/C11H25NO.2ClH.Ti/c1-7-8-13-11(6)12(9(2)3)10(4)5;;;/h9-11H,7-8H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyUDJCLNLPNAQEGF-UHFFFAOYSA-L
MW306.10 g/mol
LogP4.25
Rot. Bonds6

About dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine

dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine (PubChem CID 174305097) has the molecular formula C11H25Cl2NOTi and a molecular weight of 306.10 g/mol. Its IUPAC name is dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine.

Molecular Properties

Compound Namedichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine
PubChem CID174305097
Molecular FormulaC11H25Cl2NOTi
Molecular Weight306.10 g/mol
Exact Mass305.08
IUPAC Namedichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine
SMILESCCCOC(C)N(C(C)C)C(C)C.Cl[Ti]Cl
InChIInChI=1S/C11H25NO.2ClH.Ti/c1-7-8-13-11(6)12(9(2)3)10(4)5;;;/h9-11H,7-8H2,1-6H3;2*1H;/q;;;+2/p-2
InChIKeyUDJCLNLPNAQEGF-UHFFFAOYSA-L
XLogP4.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-1-propoxyethanamine
CID 173093623
(2R,3R)-2,3-dipropoxybutane
CID 118445331
1-methoxy-1-propoxypropane
CID 19963975
2-[bis(2-hydroxyethyl)amino]-2-propoxyethanol
CID 141087616
1-(1-propoxypropoxy)hexane
CID 89482622
1,1,1-trifluoro-3-propoxy-2,2-bis(trifluoromethyl)butane
CID 163452103
butane;dichlorotitanium
CID 12072857
magnesium;hydride;1-propoxyethanol
CID 174529104
CID 123186156
CID 123186156
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
1-ethoxypropane;1-propan-2-yloxypropane
CID 171659153
2-methyl-4,4-dipropoxybutanal
CID 163758493

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine?
The IUPAC name of dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine (CID 174305097) is dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine.
What is the SMILES notation for dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine?
The canonical SMILES for dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine is CCCOC(C)N(C(C)C)C(C)C.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine?
The InChIKey is UDJCLNLPNAQEGF-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H25NO.2ClH.Ti/c1-7-8-13-11(6)12(9(2)3)10(4)5;;;/h9-11H,7-8H2,1-6H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine?
dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine has a molecular weight of 306.10 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;N-propan-2-yl-N-(1-propoxyethyl)propan-2-amine is sourced from PubChem (CID 174305097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).