3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine

C30H58N6O4Si3 — CID 172907475

IUPAC3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine
SMILESNCCCO[Si](CCCN)(OCCCN)[Si](c1ccccc1)(c1ccccc1)[Si](CCCN)(OCCCN)OCCCN
InChIInChI=1S/C30H58N6O4Si3/c31-17-7-23-37-41(27-11-21-35,38-24-8-18-32)43(29-13-3-1-4-14-29,30-15-5-2-6-16-30)42(28-12-22-36,39-25-9-19-33)40-26-10-20-34/h1-6,13-16H,7-12,17-28,31-36H2
InChIKeyKGWCMPJYJLGWAL-UHFFFAOYSA-N
MW651.09 g/mol
LogP0.45
Rot. Bonds26

About 3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine

3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine (PubChem CID 172907475) has the molecular formula C30H58N6O4Si3 and a molecular weight of 651.09 g/mol. Its IUPAC name is 3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine
PubChem CID172907475
Molecular FormulaC30H58N6O4Si3
Molecular Weight651.09 g/mol
Exact Mass650.38
IUPAC Name3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine
SMILESNCCCO[Si](CCCN)(OCCCN)[Si](c1ccccc1)(c1ccccc1)[Si](CCCN)(OCCCN)OCCCN
InChIInChI=1S/C30H58N6O4Si3/c31-17-7-23-37-41(27-11-21-35,38-24-8-18-32)43(29-13-3-1-4-14-29,30-15-5-2-6-16-30)42(28-12-22-36,39-25-9-19-33)40-26-10-20-34/h1-6,13-16H,7-12,17-28,31-36H2
InChIKeyKGWCMPJYJLGWAL-UHFFFAOYSA-N
XLogP0.45
TPSA193.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.09
LogP ≤ 50.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine?
The IUPAC name of 3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine (CID 172907475) is 3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine.
What is the SMILES notation for 3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine?
The canonical SMILES for 3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine is NCCCO[Si](CCCN)(OCCCN)[Si](c1ccccc1)(c1ccccc1)[Si](CCCN)(OCCCN)OCCCN.
What is the InChIKey of 3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine?
The InChIKey is KGWCMPJYJLGWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H58N6O4Si3/c31-17-7-23-37-41(27-11-21-35,38-24-8-18-32)43(29-13-3-1-4-14-29,30-15-5-2-6-16-30)42(28-12-22-36,39-25-9-19-33)40-26-10-20-34/h1-6,13-16H,7-12,17-28,31-36H2.
What are the key properties of 3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine?
3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine has a molecular weight of 651.09 g/mol, XLogP of 0.45, 26 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropoxy-(3-aminopropyl)-[[bis(3-aminopropoxy)-(3-aminopropyl)silyl]-diphenylsilyl]silyl]oxypropan-1-amine is sourced from PubChem (CID 172907475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).