N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine

C16H31NO4Si — CID 140762840

IUPACN-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1COCCC[Si](OCC)(OCC)O1
InChIInChI=1S/C16H31NO4Si/c1-5-10-17(11-6-2)14-16-15-18-12-9-13-22(21-16,19-7-3)20-8-4/h5-6,16H,1-2,7-15H2,3-4H3
InChIKeyHRGDMGQCBKYRDS-UHFFFAOYSA-N
MW329.51 g/mol
LogP2.48
Rot. Bonds10

About N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine

N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine (PubChem CID 140762840) has the molecular formula C16H31NO4Si and a molecular weight of 329.51 g/mol. Its IUPAC name is N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
PubChem CID140762840
Molecular FormulaC16H31NO4Si
Molecular Weight329.51 g/mol
Exact Mass329.20
IUPAC NameN-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCN(CC=C)CC1COCCC[Si](OCC)(OCC)O1
InChIInChI=1S/C16H31NO4Si/c1-5-10-17(11-6-2)14-16-15-18-12-9-13-22(21-16,19-7-3)20-8-4/h5-6,16H,1-2,7-15H2,3-4H3
InChIKeyHRGDMGQCBKYRDS-UHFFFAOYSA-N
XLogP2.48
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 52.48
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine (CID 140762840) is N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine is C=CCN(CC=C)CC1COCCC[Si](OCC)(OCC)O1.
What is the InChIKey of N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is HRGDMGQCBKYRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO4Si/c1-5-10-17(11-6-2)14-16-15-18-12-9-13-22(21-16,19-7-3)20-8-4/h5-6,16H,1-2,7-15H2,3-4H3.
What are the key properties of N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine?
N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 329.51 g/mol, XLogP of 2.48, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-diethoxy-1,6,2-dioxasilocan-8-yl)methyl]-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 140762840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).