N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine

C19H41NO3Si — CID 174392249

IUPACN-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C19H41NO3Si/c1-6-8-15-20(16-9-7-2)17-12-14-19(21-3)13-10-11-18-24(19,22-4)23-5/h6-18H2,1-5H3
InChIKeyHOOHEQWEARUAMB-UHFFFAOYSA-N
MW359.63 g/mol
LogP4.51
Rot. Bonds13

About N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine

N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine (PubChem CID 174392249) has the molecular formula C19H41NO3Si and a molecular weight of 359.63 g/mol. Its IUPAC name is N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine
PubChem CID174392249
Molecular FormulaC19H41NO3Si
Molecular Weight359.63 g/mol
Exact Mass359.29
IUPAC NameN-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine
SMILESCCCCN(CCCC)CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C19H41NO3Si/c1-6-8-15-20(16-9-7-2)17-12-14-19(21-3)13-10-11-18-24(19,22-4)23-5/h6-18H2,1-5H3
InChIKeyHOOHEQWEARUAMB-UHFFFAOYSA-N
XLogP4.51
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.63
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
CID 175279525
3-(1,1,2-trimethoxysilinan-2-yl)propan-1-ol
CID 174434507
chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
ethoxyethane;1,1,2-trimethoxy-2-propylsilinane
CID 174297956
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
CID 174790956
2-(3-isothiocyanatopropyl)-1,1,2-trimethoxysilinane
CID 174434144
1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane
CID 174905238
1H-imidazole;1,1,2-trimethoxy-2-propylsilinane
CID 174851969
2-(oxiran-2-ylmethoxymethyl)oxirane;1,1,2-trimethoxy-2-propylsilinane
CID 174317269
2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one
CID 174413287
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine?
The IUPAC name of N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine (CID 174392249) is N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine is CCCCN(CCCC)CCCC1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine?
The InChIKey is HOOHEQWEARUAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO3Si/c1-6-8-15-20(16-9-7-2)17-12-14-19(21-3)13-10-11-18-24(19,22-4)23-5/h6-18H2,1-5H3.
What are the key properties of N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine?
N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine has a molecular weight of 359.63 g/mol, XLogP of 4.51, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]butan-1-amine is sourced from PubChem (CID 174392249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).