N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine

C12H31N3Si — CID 87335712

IUPACN-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine
SMILESCCN[Si](NCC)(C(C)CC)N(CC)CC
InChIInChI=1S/C12H31N3Si/c1-7-12(6)16(13-8-2,14-9-3)15(10-4)11-5/h12-14H,7-11H2,1-6H3
InChIKeyZPDGAZVTCCXFGP-UHFFFAOYSA-N
MW245.49 g/mol
LogP2.29
Rot. Bonds9

About N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine

N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine (PubChem CID 87335712) has the molecular formula C12H31N3Si and a molecular weight of 245.49 g/mol. Its IUPAC name is N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine.

Molecular Properties

Compound NameN-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine
PubChem CID87335712
Molecular FormulaC12H31N3Si
Molecular Weight245.49 g/mol
Exact Mass245.23
IUPAC NameN-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine
SMILESCCN[Si](NCC)(C(C)CC)N(CC)CC
InChIInChI=1S/C12H31N3Si/c1-7-12(6)16(13-8-2,14-9-3)15(10-4)11-5/h12-14H,7-11H2,1-6H3
InChIKeyZPDGAZVTCCXFGP-UHFFFAOYSA-N
XLogP2.29
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine?
The IUPAC name of N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine (CID 87335712) is N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine.
What is the SMILES notation for N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine?
The canonical SMILES for N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine is CCN[Si](NCC)(C(C)CC)N(CC)CC.
What is the InChIKey of N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine?
The InChIKey is ZPDGAZVTCCXFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31N3Si/c1-7-12(6)16(13-8-2,14-9-3)15(10-4)11-5/h12-14H,7-11H2,1-6H3.
What are the key properties of N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine?
N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine has a molecular weight of 245.49 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butan-2-yl-(diethylamino)-(ethylamino)silyl]ethanamine is sourced from PubChem (CID 87335712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).