3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine

C15H29N3O3Si — CID 154134057

IUPAC3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine
SMILESNCCCO[Si](OCCCN)(OCCCN)c1ccccc1
InChIInChI=1S/C15H29N3O3Si/c16-9-4-12-19-22(20-13-5-10-17,21-14-6-11-18)15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14,16-18H2
InChIKeyJOMKSZDVOKHXGC-UHFFFAOYSA-N
MW327.50 g/mol
LogP-0.07
Rot. Bonds13

About 3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine

3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine (PubChem CID 154134057) has the molecular formula C15H29N3O3Si and a molecular weight of 327.50 g/mol. Its IUPAC name is 3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine
PubChem CID154134057
Molecular FormulaC15H29N3O3Si
Molecular Weight327.50 g/mol
Exact Mass327.20
IUPAC Name3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine
SMILESNCCCO[Si](OCCCN)(OCCCN)c1ccccc1
InChIInChI=1S/C15H29N3O3Si/c16-9-4-12-19-22(20-13-5-10-17,21-14-6-11-18)15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14,16-18H2
InChIKeyJOMKSZDVOKHXGC-UHFFFAOYSA-N
XLogP-0.07
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[diethoxy(phenyl)silyl]oxypropane-1-thiol
CID 87401013
tris[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]-phenylsilane
CID 101356645
ethane;triethoxy(phenyl)silane
CID 174836592
2-[ethoxy-phenyl-(2-sulfanylethoxy)silyl]oxyethanethiol
CID 153327930
silane;triethoxy(phenyl)silane;hydrofluoride
CID 174494492
3-[phenyl-bis(2,2,2-trifluoroethoxy)silyl]propan-1-amine
CID 54356096
3-[diphenoxy(phenyl)silyl]propan-1-amine
CID 139775070
3-[hydroxy(diphenyl)silyl]propan-1-amine
CID 164773913
fluorosilane;triethoxy(phenyl)silane
CID 174494490
2-[phenyl(dipropoxy)silyl]ethanamine
CID 141216090
3-(4-phenoxybutoxy)propan-1-amine
CID 82352658
boric acid;triethoxy(phenyl)silane
CID 174800585

Frequently Asked Questions

What is the IUPAC name of 3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine?
The IUPAC name of 3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine (CID 154134057) is 3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine.
What is the SMILES notation for 3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine?
The canonical SMILES for 3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine is NCCCO[Si](OCCCN)(OCCCN)c1ccccc1.
What is the InChIKey of 3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine?
The InChIKey is JOMKSZDVOKHXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3Si/c16-9-4-12-19-22(20-13-5-10-17,21-14-6-11-18)15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-14,16-18H2.
What are the key properties of 3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine?
3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine has a molecular weight of 327.50 g/mol, XLogP of -0.07, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine is sourced from PubChem (CID 154134057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).