N-ethenyl-N-propylaniline;methanol;titanium

C14H26NO3Ti- — CID 142734850

IUPACN-ethenyl-N-propylaniline;methanol;titanium
SMILESC=CN(CC[CH2-])c1ccccc1.CO.CO.CO.[Ti]
InChIInChI=1S/C11H14N.3CH4O.Ti/c1-3-10-12(4-2)11-8-6-5-7-9-11;3*1-2;/h4-9H,1-3,10H2;3*2H,1H3;/q-1;;;;
InChIKeyIXNSYAGFOXPGKZ-UHFFFAOYSA-N
MW304.23 g/mol
LogP1.68
Rot. Bonds4

About N-ethenyl-N-propylaniline;methanol;titanium

N-ethenyl-N-propylaniline;methanol;titanium (PubChem CID 142734850) has the molecular formula C14H26NO3Ti- and a molecular weight of 304.23 g/mol. Its IUPAC name is N-ethenyl-N-propylaniline;methanol;titanium.

Molecular Properties

Compound NameN-ethenyl-N-propylaniline;methanol;titanium
PubChem CID142734850
Molecular FormulaC14H26NO3Ti-
Molecular Weight304.23 g/mol
Exact Mass304.14
IUPAC NameN-ethenyl-N-propylaniline;methanol;titanium
SMILESC=CN(CC[CH2-])c1ccccc1.CO.CO.CO.[Ti]
InChIInChI=1S/C11H14N.3CH4O.Ti/c1-3-10-12(4-2)11-8-6-5-7-9-11;3*1-2;/h4-9H,1-3,10H2;3*2H,1H3;/q-1;;;;
InChIKeyIXNSYAGFOXPGKZ-UHFFFAOYSA-N
XLogP1.68
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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ethene;N-ethyl-N-[(E)-prop-1-enyl]aniline;prop-1-ene
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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-propylaniline;methanol;titanium?
The IUPAC name of N-ethenyl-N-propylaniline;methanol;titanium (CID 142734850) is N-ethenyl-N-propylaniline;methanol;titanium.
What is the SMILES notation for N-ethenyl-N-propylaniline;methanol;titanium?
The canonical SMILES for N-ethenyl-N-propylaniline;methanol;titanium is C=CN(CC[CH2-])c1ccccc1.CO.CO.CO.[Ti].
What is the InChIKey of N-ethenyl-N-propylaniline;methanol;titanium?
The InChIKey is IXNSYAGFOXPGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N.3CH4O.Ti/c1-3-10-12(4-2)11-8-6-5-7-9-11;3*1-2;/h4-9H,1-3,10H2;3*2H,1H3;/q-1;;;;.
What are the key properties of N-ethenyl-N-propylaniline;methanol;titanium?
N-ethenyl-N-propylaniline;methanol;titanium has a molecular weight of 304.23 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-propylaniline;methanol;titanium is sourced from PubChem (CID 142734850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).