1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine

C16H29NO3Si — CID 174919332

IUPAC1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine
SMILESCCCCC(N)CC[Si](OC)(OC)OCc1ccccc1
InChIInChI=1S/C16H29NO3Si/c1-4-5-11-16(17)12-13-21(18-2,19-3)20-14-15-9-7-6-8-10-15/h6-10,16H,4-5,11-14,17H2,1-3H3
InChIKeyFATIGKGNZGKQQO-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.34
Rot. Bonds11

About 1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine

1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine (PubChem CID 174919332) has the molecular formula C16H29NO3Si and a molecular weight of 311.50 g/mol. Its IUPAC name is 1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine.

Molecular Properties

Compound Name1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine
PubChem CID174919332
Molecular FormulaC16H29NO3Si
Molecular Weight311.50 g/mol
Exact Mass311.19
IUPAC Name1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine
SMILESCCCCC(N)CC[Si](OC)(OC)OCc1ccccc1
InChIInChI=1S/C16H29NO3Si/c1-4-5-11-16(17)12-13-21(18-2,19-3)20-14-15-9-7-6-8-10-15/h6-10,16H,4-5,11-14,17H2,1-3H3
InChIKeyFATIGKGNZGKQQO-UHFFFAOYSA-N
XLogP3.34
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[dimethoxy(phenylmethoxy)silyl]propan-1-amine
CID 66586388
3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine
CID 151836311
4-[dimethoxy(phenylmethoxy)silyl]butanamide
CID 174833122
1-phenyloctan-4-amine
CID 79413314
1,5-bis(trimethoxysilyl)pentan-3-amine
CID 87668176
N'-[2-[dimethoxy(2-phenylethyl)silyl]oxyethyl]ethane-1,2-diamine
CID 53427353
1-triethoxysilylnonan-3-amine
CID 174893376
methoxy-phenyl-phenylmethoxy-propylsilane
CID 174912796
3-[heptoxy(dimethoxy)silyl]propane-1,1-diamine
CID 163213327
[butyl(dimethoxy)silyl]oxy-phenylmethanamine
CID 174928704
hexane;3-trimethoxysilylpropane-1,1-diamine
CID 174757276
benzyl 2-butylhexanoate
CID 175287311

Frequently Asked Questions

What is the IUPAC name of 1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine?
The IUPAC name of 1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine (CID 174919332) is 1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine.
What is the SMILES notation for 1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine?
The canonical SMILES for 1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine is CCCCC(N)CC[Si](OC)(OC)OCc1ccccc1.
What is the InChIKey of 1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine?
The InChIKey is FATIGKGNZGKQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3Si/c1-4-5-11-16(17)12-13-21(18-2,19-3)20-14-15-9-7-6-8-10-15/h6-10,16H,4-5,11-14,17H2,1-3H3.
What are the key properties of 1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine?
1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine has a molecular weight of 311.50 g/mol, XLogP of 3.34, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethoxy(phenylmethoxy)silyl]heptan-3-amine is sourced from PubChem (CID 174919332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).