1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine

C17H38N2Si — CID 154144939

IUPAC1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine
SMILESCCC=C[SiH2]C(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C17H38N2Si/c1-6-11-16-20-17(18(12-7-2)13-8-3)19(14-9-4)15-10-5/h11,16-17H,6-10,12-15,20H2,1-5H3
InChIKeyMOFRCSUKYYWHDX-UHFFFAOYSA-N
MW298.59 g/mol
LogP3.61
Rot. Bonds13

About 1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine

1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine (PubChem CID 154144939) has the molecular formula C17H38N2Si and a molecular weight of 298.59 g/mol. Its IUPAC name is 1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine.

Molecular Properties

Compound Name1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine
PubChem CID154144939
Molecular FormulaC17H38N2Si
Molecular Weight298.59 g/mol
Exact Mass298.28
IUPAC Name1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine
SMILESCCC=C[SiH2]C(N(CCC)CCC)N(CCC)CCC
InChIInChI=1S/C17H38N2Si/c1-6-11-16-20-17(18(12-7-2)13-8-3)19(14-9-4)15-10-5/h11,16-17H,6-10,12-15,20H2,1-5H3
InChIKeyMOFRCSUKYYWHDX-UHFFFAOYSA-N
XLogP3.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.59
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine?
The IUPAC name of 1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine (CID 154144939) is 1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine.
What is the SMILES notation for 1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine?
The canonical SMILES for 1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine is CCC=C[SiH2]C(N(CCC)CCC)N(CCC)CCC.
What is the InChIKey of 1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine?
The InChIKey is MOFRCSUKYYWHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2Si/c1-6-11-16-20-17(18(12-7-2)13-8-3)19(14-9-4)15-10-5/h11,16-17H,6-10,12-15,20H2,1-5H3.
What are the key properties of 1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine?
1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine has a molecular weight of 298.59 g/mol, XLogP of 3.61, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enylsilyl-N,N,N',N'-tetrapropylmethanediamine is sourced from PubChem (CID 154144939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).