1-tert-butylsilyl-N,N'-diethylmethanediamine

C9H24N2Si — CID 123959380

IUPAC1-tert-butylsilyl-N,N'-diethylmethanediamine
SMILESCCNC(NCC)[SiH2]C(C)(C)C
InChIInChI=1S/C9H24N2Si/c1-6-10-8(11-7-2)12-9(3,4)5/h8,10-11H,6-7,12H2,1-5H3
InChIKeyLQVRQIAAPYGYSU-UHFFFAOYSA-N
MW188.39 g/mol
LogP0.88
Rot. Bonds5

About 1-tert-butylsilyl-N,N'-diethylmethanediamine

1-tert-butylsilyl-N,N'-diethylmethanediamine (PubChem CID 123959380) has the molecular formula C9H24N2Si and a molecular weight of 188.39 g/mol. Its IUPAC name is 1-tert-butylsilyl-N,N'-diethylmethanediamine.

Molecular Properties

Compound Name1-tert-butylsilyl-N,N'-diethylmethanediamine
PubChem CID123959380
Molecular FormulaC9H24N2Si
Molecular Weight188.39 g/mol
Exact Mass188.17
IUPAC Name1-tert-butylsilyl-N,N'-diethylmethanediamine
SMILESCCNC(NCC)[SiH2]C(C)(C)C
InChIInChI=1S/C9H24N2Si/c1-6-10-8(11-7-2)12-9(3,4)5/h8,10-11H,6-7,12H2,1-5H3
InChIKeyLQVRQIAAPYGYSU-UHFFFAOYSA-N
XLogP0.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
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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Related Compounds

1-(tert-butylamino)silyl-N,N'-diethylmethanediamine
CID 123478815
1-N-ethyl-2,2-dimethyl-1-N'-(2-methylbutan-2-yl)propane-1,1-diamine
CID 154626390
1,3-dichloro-N-ethylpropan-2-amine
CID 169225125
1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane
CID 170980277
1-N-ethyl-2,2-dimethyl-1-N'-propylpropane-1,1-diamine
CID 154626474
N-ethyl-2,4,4-trimethylhexan-3-amine
CID 114978547
N-ethyl-1-propan-2-ylsilylethanamine
CID 173064658
1-N,1-N'-diethyl-2-methylsilylethane-1,1-diamine
CID 123774390
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
CID 115854187
N-ethyl-2,5,6,6-tetramethylheptan-3-amine
CID 114978235
1-chloro-N-ethyl-1-propan-2-ylsilylethanamine
CID 173059485
(1R)-N-ethyl-1-phosphanylethanamine
CID 121458893

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylsilyl-N,N'-diethylmethanediamine?
The IUPAC name of 1-tert-butylsilyl-N,N'-diethylmethanediamine (CID 123959380) is 1-tert-butylsilyl-N,N'-diethylmethanediamine.
What is the SMILES notation for 1-tert-butylsilyl-N,N'-diethylmethanediamine?
The canonical SMILES for 1-tert-butylsilyl-N,N'-diethylmethanediamine is CCNC(NCC)[SiH2]C(C)(C)C.
What is the InChIKey of 1-tert-butylsilyl-N,N'-diethylmethanediamine?
The InChIKey is LQVRQIAAPYGYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N2Si/c1-6-10-8(11-7-2)12-9(3,4)5/h8,10-11H,6-7,12H2,1-5H3.
What are the key properties of 1-tert-butylsilyl-N,N'-diethylmethanediamine?
1-tert-butylsilyl-N,N'-diethylmethanediamine has a molecular weight of 188.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylsilyl-N,N'-diethylmethanediamine is sourced from PubChem (CID 123959380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).