N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine

C22H45N3O3Si — CID 57199620

IUPACN-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine
SMILESCCCCC=C(C)NO[Si](C)(ONC(C)=CCCCC)ONC(C)=CCCCC
InChIInChI=1S/C22H45N3O3Si/c1-8-11-14-17-20(4)23-26-29(7,27-24-21(5)18-15-12-9-2)28-25-22(6)19-16-13-10-3/h17-19,23-25H,8-16H2,1-7H3
InChIKeyTVSCIJRSQGETKM-UHFFFAOYSA-N
MW427.71 g/mol
LogP6.40
Rot. Bonds18

About N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine

N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine (PubChem CID 57199620) has the molecular formula C22H45N3O3Si and a molecular weight of 427.71 g/mol. Its IUPAC name is N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine.

Molecular Properties

Compound NameN-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine
PubChem CID57199620
Molecular FormulaC22H45N3O3Si
Molecular Weight427.71 g/mol
Exact Mass427.32
IUPAC NameN-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine
SMILESCCCCC=C(C)NO[Si](C)(ONC(C)=CCCCC)ONC(C)=CCCCC
InChIInChI=1S/C22H45N3O3Si/c1-8-11-14-17-20(4)23-26-29(7,27-24-21(5)18-15-12-9-2)28-25-22(6)19-16-13-10-3/h17-19,23-25H,8-16H2,1-7H3
InChIKeyTVSCIJRSQGETKM-UHFFFAOYSA-N
XLogP6.40
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.71
LogP ≤ 56.40
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine?
The IUPAC name of N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine (CID 57199620) is N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine.
What is the SMILES notation for N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine?
The canonical SMILES for N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine is CCCCC=C(C)NO[Si](C)(ONC(C)=CCCCC)ONC(C)=CCCCC.
What is the InChIKey of N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine?
The InChIKey is TVSCIJRSQGETKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O3Si/c1-8-11-14-17-20(4)23-26-29(7,27-24-21(5)18-15-12-9-2)28-25-22(6)19-16-13-10-3/h17-19,23-25H,8-16H2,1-7H3.
What are the key properties of N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine?
N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine has a molecular weight of 427.71 g/mol, XLogP of 6.40, 18 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[(hept-2-en-2-ylamino)oxy]-methylsilyl]oxyhept-2-en-2-amine is sourced from PubChem (CID 57199620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).