3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine

C18H26N2O3Si — CID 151836311

IUPAC3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine
SMILESCO[Si](CCC(N)Nc1ccccc1)(OC)OCc1ccccc1
InChIInChI=1S/C18H26N2O3Si/c1-21-24(22-2,23-15-16-9-5-3-6-10-16)14-13-18(19)20-17-11-7-4-8-12-17/h3-12,18,20H,13-15,19H2,1-2H3
InChIKeySFSNHFLBTJFCDH-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.22
Rot. Bonds10

About 3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine

3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine (PubChem CID 151836311) has the molecular formula C18H26N2O3Si and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine.

Molecular Properties

Compound Name3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine
PubChem CID151836311
Molecular FormulaC18H26N2O3Si
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine
SMILESCO[Si](CCC(N)Nc1ccccc1)(OC)OCc1ccccc1
InChIInChI=1S/C18H26N2O3Si/c1-21-24(22-2,23-15-16-9-5-3-6-10-16)14-13-18(19)20-17-11-7-4-8-12-17/h3-12,18,20H,13-15,19H2,1-2H3
InChIKeySFSNHFLBTJFCDH-UHFFFAOYSA-N
XLogP3.22
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine
CID 174919332
4-[dimethoxy(phenylmethoxy)silyl]butanamide
CID 174833122
2-methoxy-1-N'-phenylethane-1,1-diamine
CID 139645747
2-N-benzyl-5-trimethoxysilylpentane-2,3-diamine
CID 67882549
3-amino-3-anilinopropan-1-ol
CID 174697333
N-(1-trimethoxysilylpropan-2-yl)aniline
CID 22495234
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
silane;N-(1-trimethoxysilylpropan-2-yl)aniline
CID 173063334
N-[[aminomethoxy(dimethoxy)silyl]methyl]aniline
CID 175419637
[dimethyl(phenylmethoxy)silyl]-dimethyl-phenylmethoxysilane
CID 122390152
1-[3-aminopropyl(dimethoxy)silyl]oxy-N-benzylpropan-2-amine
CID 140645888
benzyl triethyl silicate
CID 14245028

Frequently Asked Questions

What is the IUPAC name of 3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine?
The IUPAC name of 3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine (CID 151836311) is 3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine.
What is the SMILES notation for 3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine?
The canonical SMILES for 3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine is CO[Si](CCC(N)Nc1ccccc1)(OC)OCc1ccccc1.
What is the InChIKey of 3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine?
The InChIKey is SFSNHFLBTJFCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3Si/c1-21-24(22-2,23-15-16-9-5-3-6-10-16)14-13-18(19)20-17-11-7-4-8-12-17/h3-12,18,20H,13-15,19H2,1-2H3.
What are the key properties of 3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine?
3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine has a molecular weight of 346.50 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine is sourced from PubChem (CID 151836311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).