N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine

C16H33N3O3Si — CID 123997089

IUPACN-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine
SMILESCC=C(CC)NO[Si](C)(ONC(=CC)CC)ONC(=CC)CC
InChIInChI=1S/C16H33N3O3Si/c1-8-14(9-2)17-20-23(7,21-18-15(10-3)11-4)22-19-16(12-5)13-6/h8,10,12,17-19H,9,11,13H2,1-7H3
InChIKeyYCDUVVPXYZUMLH-UHFFFAOYSA-N
MW343.54 g/mol
LogP4.06
Rot. Bonds12

About N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine

N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine (PubChem CID 123997089) has the molecular formula C16H33N3O3Si and a molecular weight of 343.54 g/mol. Its IUPAC name is N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine.

Molecular Properties

Compound NameN-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine
PubChem CID123997089
Molecular FormulaC16H33N3O3Si
Molecular Weight343.54 g/mol
Exact Mass343.23
IUPAC NameN-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine
SMILESCC=C(CC)NO[Si](C)(ONC(=CC)CC)ONC(=CC)CC
InChIInChI=1S/C16H33N3O3Si/c1-8-14(9-2)17-20-23(7,21-18-15(10-3)11-4)22-19-16(12-5)13-6/h8,10,12,17-19H,9,11,13H2,1-7H3
InChIKeyYCDUVVPXYZUMLH-UHFFFAOYSA-N
XLogP4.06
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine?
The IUPAC name of N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine (CID 123997089) is N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine.
What is the SMILES notation for N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine?
The canonical SMILES for N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine is CC=C(CC)NO[Si](C)(ONC(=CC)CC)ONC(=CC)CC.
What is the InChIKey of N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine?
The InChIKey is YCDUVVPXYZUMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3Si/c1-8-14(9-2)17-20-23(7,21-18-15(10-3)11-4)22-19-16(12-5)13-6/h8,10,12,17-19H,9,11,13H2,1-7H3.
What are the key properties of N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine?
N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine has a molecular weight of 343.54 g/mol, XLogP of 4.06, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl-bis[(pent-2-en-3-ylamino)oxy]silyl]oxypent-2-en-3-amine is sourced from PubChem (CID 123997089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).