N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane

C17H30N2O3Si — CID 173296479

IUPACN-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane
SMILESC=CC(NC(C)C1CNC1)c1ccccc1.CO[SiH](OC)OC
InChIInChI=1S/C14H20N2.C3H10O3Si/c1-3-14(12-7-5-4-6-8-12)16-11(2)13-9-15-10-13;1-4-7(5-2)6-3/h3-8,11,13-16H,1,9-10H2,2H3;7H,1-3H3
InChIKeyLQQKVPAOQHGOAQ-UHFFFAOYSA-N
MW338.52 g/mol
LogP1.75
Rot. Bonds8

About N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane

N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane (PubChem CID 173296479) has the molecular formula C17H30N2O3Si and a molecular weight of 338.52 g/mol. Its IUPAC name is N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane.

Molecular Properties

Compound NameN-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane
PubChem CID173296479
Molecular FormulaC17H30N2O3Si
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC NameN-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane
SMILESC=CC(NC(C)C1CNC1)c1ccccc1.CO[SiH](OC)OC
InChIInChI=1S/C14H20N2.C3H10O3Si/c1-3-14(12-7-5-4-6-8-12)16-11(2)13-9-15-10-13;1-4-7(5-2)6-3/h3-8,11,13-16H,1,9-10H2,2H3;7H,1-3H3
InChIKeyLQQKVPAOQHGOAQ-UHFFFAOYSA-N
XLogP1.75
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N'-(1-phenylprop-2-enyl)-1-N-(3-trimethoxysilylpropyl)ethane-1,1-diamine
CID 88666500
N-(cyclopropylmethyl)-1-phenylprop-2-en-1-amine
CID 58691176
1-methoxyprop-2-enylbenzene
CID 11029990
methyl 2-[2-(azetidin-3-yl)propanoylamino]-2-phenylacetate
CID 116677618
(2R)-2-phenyl-2-[[(1R)-1-phenylprop-2-enyl]amino]ethanol
CID 11032401
ethanol;3-(1-phenylethyl)azetidine
CID 19888360
(3R)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]-3-phenylpent-4-enamide
CID 99777059
N-(4-methoxypyrrolidin-3-yl)-3-phenylpent-4-enamide
CID 136575983
3-(1-phenoxyethyl)azetidine
CID 105437140
(4R,5R)-3,6-bis(ethenyl)-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine
CID 15525887
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
N-[(1S)-1-phenylprop-2-enyl]hexan-1-amine
CID 11830897

Frequently Asked Questions

What is the IUPAC name of N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane?
The IUPAC name of N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane (CID 173296479) is N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane.
What is the SMILES notation for N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane?
The canonical SMILES for N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane is C=CC(NC(C)C1CNC1)c1ccccc1.CO[SiH](OC)OC.
What is the InChIKey of N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane?
The InChIKey is LQQKVPAOQHGOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.C3H10O3Si/c1-3-14(12-7-5-4-6-8-12)16-11(2)13-9-15-10-13;1-4-7(5-2)6-3/h3-8,11,13-16H,1,9-10H2,2H3;7H,1-3H3.
What are the key properties of N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane?
N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane has a molecular weight of 338.52 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azetidin-3-yl)ethyl]-1-phenylprop-2-en-1-amine;trimethoxysilane is sourced from PubChem (CID 173296479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).