N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine

C13H27N3O3Si — CID 54269750

IUPACN-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine
SMILESCC=C(C)NO[Si](C)(ONC(C)=CC)ONC(C)=CC
InChIInChI=1S/C13H27N3O3Si/c1-8-11(4)14-17-20(7,18-15-12(5)9-2)19-16-13(6)10-3/h8-10,14-16H,1-7H3
InChIKeyRJHOFWYENJODJC-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.89
Rot. Bonds9

About N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine

N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine (PubChem CID 54269750) has the molecular formula C13H27N3O3Si and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine.

Molecular Properties

Compound NameN-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine
PubChem CID54269750
Molecular FormulaC13H27N3O3Si
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine
SMILESCC=C(C)NO[Si](C)(ONC(C)=CC)ONC(C)=CC
InChIInChI=1S/C13H27N3O3Si/c1-8-11(4)14-17-20(7,18-15-12(5)9-2)19-16-13(6)10-3/h8-10,14-16H,1-7H3
InChIKeyRJHOFWYENJODJC-UHFFFAOYSA-N
XLogP2.89
TPSA63.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.89
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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Related Compounds

N-[(but-2-en-2-ylamino)oxy-methoxy-methylsilyl]oxybut-2-en-2-amine
CID 53915167
N-[dimethoxy(methyl)silyl]oxybut-2-en-2-amine
CID 54379205
N-(trimethylsilylmethoxy)but-2-en-2-amine
CID 56607431
N-[ethenyl-bis[(prop-1-en-2-ylamino)oxy]silyl]oxyprop-1-en-2-amine
CID 56999004
N-[bis[(but-2-en-2-ylamino)oxy]-ethenylsilyl]oxybut-2-en-2-amine
CID 57008599
N-[(but-2-en-2-ylamino)oxy-dimethylsilyl]oxybut-2-en-2-amine
CID 57023224
N-[(but-2-en-2-ylamino)oxy-ethenyl-methylsilyl]oxybut-2-en-2-amine
CID 57042715
N-[3-aminopropyl(dimethoxy)silyl]oxybut-2-en-2-amine
CID 57072988
Tetrakis(but-2-en-2-ylamino) silicate
CID 57234707
(Z)-N-[bis[[[(E)-but-2-en-2-yl]amino]oxy]-ethylsilyl]oxybut-2-en-2-amine
CID 57266830
N-[(but-2-en-2-ylamino)oxy-ethylidenesilyl]oxybut-2-en-2-amine
CID 57281949
N-[3-aminopropyl-bis[(but-2-en-2-ylamino)oxy]silyl]oxybut-2-en-2-amine
CID 57289622

Frequently Asked Questions

What is the IUPAC name of N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine?
The IUPAC name of N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine (CID 54269750) is N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine.
What is the SMILES notation for N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine?
The canonical SMILES for N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine is CC=C(C)NO[Si](C)(ONC(C)=CC)ONC(C)=CC.
What is the InChIKey of N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine?
The InChIKey is RJHOFWYENJODJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3Si/c1-8-11(4)14-17-20(7,18-15-12(5)9-2)19-16-13(6)10-3/h8-10,14-16H,1-7H3.
What are the key properties of N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine?
N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine has a molecular weight of 301.46 g/mol, XLogP of 2.89, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[(but-2-en-2-ylamino)oxy]-methylsilyl]oxybut-2-en-2-amine is sourced from PubChem (CID 54269750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).