N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+)

C17H31NO2Ti — CID 142734847

IUPACN-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+)
SMILESC=CN(CC[CH2-])Cc1ccccc1.CCO.CCO.[CH3-].[Ti+2]
InChIInChI=1S/C12H16N.2C2H6O.CH3.Ti/c1-3-10-13(4-2)11-12-8-6-5-7-9-12;2*1-2-3;;/h4-9H,1-3,10-11H2;2*3H,2H2,1H3;1H3;/q-1;;;-1;+2
InChIKeyWGNPLIQUZCMDAN-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.30
Rot. Bonds5

About N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+)

N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+) (PubChem CID 142734847) has the molecular formula C17H31NO2Ti and a molecular weight of 329.31 g/mol. Its IUPAC name is N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+).

Molecular Properties

Compound NameN-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+)
PubChem CID142734847
Molecular FormulaC17H31NO2Ti
Molecular Weight329.31 g/mol
Exact Mass329.18
IUPAC NameN-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+)
SMILESC=CN(CC[CH2-])Cc1ccccc1.CCO.CCO.[CH3-].[Ti+2]
InChIInChI=1S/C12H16N.2C2H6O.CH3.Ti/c1-3-10-13(4-2)11-12-8-6-5-7-9-12;2*1-2-3;;/h4-9H,1-3,10-11H2;2*3H,2H2,1H3;1H3;/q-1;;;-1;+2
InChIKeyWGNPLIQUZCMDAN-UHFFFAOYSA-N
XLogP3.30
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethenyl-N-[(4-ethylphenyl)methyl]propan-1-amine
CID 145011980
N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine
CID 70389657
magnesium;N-benzyl-N-methylpropan-1-amine;chloride
CID 88793658
N-benzyl-N-ethenylpropanamide
CID 11469541
N-ethenyl-N-propylaniline;methanol;titanium
CID 142734850
benzyl(ethenyl)carbamic acid
CID 22377754
3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol
CID 174815417
N-benzyl-N-hexylmethanethioamide
CID 54136238
(1Z)-1-[2-[benzyl(ethyl)amino]ethyl-ethylamino]buta-1,3-dien-1-ol
CID 156793306
N-benzyl-N-pentylprop-2-enamide
CID 176825792
N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine
CID 10059288
N-benzyl-N-ethenylpropan-2-amine
CID 67948019

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+)?
The IUPAC name of N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+) (CID 142734847) is N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+).
What is the SMILES notation for N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+)?
The canonical SMILES for N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+) is C=CN(CC[CH2-])Cc1ccccc1.CCO.CCO.[CH3-].[Ti+2].
What is the InChIKey of N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+)?
The InChIKey is WGNPLIQUZCMDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N.2C2H6O.CH3.Ti/c1-3-10-13(4-2)11-12-8-6-5-7-9-12;2*1-2-3;;/h4-9H,1-3,10-11H2;2*3H,2H2,1H3;1H3;/q-1;;;-1;+2.
What are the key properties of N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+)?
N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+) has a molecular weight of 329.31 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+) is sourced from PubChem (CID 142734847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).