N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine

C15H32N4O3Si — CID 57289622

IUPACN-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine
SMILESCC=C(C)NO[Si](CCCN)(ONC(C)=CC)ONC(C)=CC
InChIInChI=1S/C15H32N4O3Si/c1-7-13(4)17-20-23(12-10-11-16,21-18-14(5)8-2)22-19-15(6)9-3/h7-9,17-19H,10-12,16H2,1-6H3
InChIKeyFJXLSCOVULDCIN-UHFFFAOYSA-N
MW344.53 g/mol
LogP2.61
Rot. Bonds12

About N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine

N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine (PubChem CID 57289622) has the molecular formula C15H32N4O3Si and a molecular weight of 344.53 g/mol. Its IUPAC name is N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine.

Molecular Properties

Compound NameN-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine
PubChem CID57289622
Molecular FormulaC15H32N4O3Si
Molecular Weight344.53 g/mol
Exact Mass344.22
IUPAC NameN-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine
SMILESCC=C(C)NO[Si](CCCN)(ONC(C)=CC)ONC(C)=CC
InChIInChI=1S/C15H32N4O3Si/c1-7-13(4)17-20-23(12-10-11-16,21-18-14(5)8-2)22-19-15(6)9-3/h7-9,17-19H,10-12,16H2,1-6H3
InChIKeyFJXLSCOVULDCIN-UHFFFAOYSA-N
XLogP2.61
TPSA89.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine?
The IUPAC name of N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine (CID 57289622) is N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine.
What is the SMILES notation for N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine?
The canonical SMILES for N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine is CC=C(C)NO[Si](CCCN)(ONC(C)=CC)ONC(C)=CC.
What is the InChIKey of N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine?
The InChIKey is FJXLSCOVULDCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O3Si/c1-7-13(4)17-20-23(12-10-11-16,21-18-14(5)8-2)22-19-15(6)9-3/h7-9,17-19H,10-12,16H2,1-6H3.
What are the key properties of N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine?
N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine has a molecular weight of 344.53 g/mol, XLogP of 2.61, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine is sourced from PubChem (CID 57289622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).