3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol

C17H30N2O3Si — CID 174815417

IUPAC3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol
SMILESC=CN(CCNCCC(O)[Si](C)(OC)OC)Cc1ccccc1
InChIInChI=1S/C17H30N2O3Si/c1-5-19(15-16-9-7-6-8-10-16)14-13-18-12-11-17(20)23(4,21-2)22-3/h5-10,17-18,20H,1,11-15H2,2-4H3
InChIKeyCLKKNBGXXZDQKX-UHFFFAOYSA-N
MW338.52 g/mol
LogP1.88
Rot. Bonds12

About 3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol

3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol (PubChem CID 174815417) has the molecular formula C17H30N2O3Si and a molecular weight of 338.52 g/mol. Its IUPAC name is 3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol
PubChem CID174815417
Molecular FormulaC17H30N2O3Si
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Name3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol
SMILESC=CN(CCNCCC(O)[Si](C)(OC)OC)Cc1ccccc1
InChIInChI=1S/C17H30N2O3Si/c1-5-19(15-16-9-7-6-8-10-16)14-13-18-12-11-17(20)23(4,21-2)22-3/h5-10,17-18,20H,1,11-15H2,2-4H3
InChIKeyCLKKNBGXXZDQKX-UHFFFAOYSA-N
XLogP1.88
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[benzyl(ethenyl)amino]ethyl]ethane-1,2-diamine
CID 70389657
N'-benzyl-N'-ethenyl-N-[3-tri(propan-2-yloxy)silylpropyl]ethane-1,2-diamine;hydrochloride
CID 141259839
3-[4-[2-[benzyl(ethenyl)amino]ethylamino]butoxy-methoxy-methylsilyl]propyl 2-methylprop-2-enoate
CID 154000557
N-benzyl-N-ethenylpropan-1-amine;carbanide;ethanol;titanium(2+)
CID 142734847
N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide
CID 143178304
N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide
CID 11288047
methyl 2-[benzyl(prop-1-enyl)amino]acetate
CID 141322891
3-[2-[benzyl(methyl)amino]ethylamino]propanamide
CID 130877851
1-[benzyl-[4-[7-[4-[benzyl(1-hydroxyethyl)amino]butylamino]heptylamino]butyl]amino]ethanol
CID 19757907
methyl (E)-3-(dibenzylamino)prop-2-enoate
CID 5382919
N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide
CID 170006039
N-benzyl-N'-ethenyl-N'-(2-methylprop-1-enyl)ethane-1,2-diamine
CID 89343880

Frequently Asked Questions

What is the IUPAC name of 3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol?
The IUPAC name of 3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol (CID 174815417) is 3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol.
What is the SMILES notation for 3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol?
The canonical SMILES for 3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol is C=CN(CCNCCC(O)[Si](C)(OC)OC)Cc1ccccc1.
What is the InChIKey of 3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol?
The InChIKey is CLKKNBGXXZDQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3Si/c1-5-19(15-16-9-7-6-8-10-16)14-13-18-12-11-17(20)23(4,21-2)22-3/h5-10,17-18,20H,1,11-15H2,2-4H3.
What are the key properties of 3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol?
3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol has a molecular weight of 338.52 g/mol, XLogP of 1.88, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[benzyl(ethenyl)amino]ethylamino]-1-[dimethoxy(methyl)silyl]propan-1-ol is sourced from PubChem (CID 174815417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).