1-butyl-3-trimethylsilylurea

C8H20N2OSi — CID 13070988

IUPAC1-butyl-3-trimethylsilylurea
SMILESCCCCNC(=O)N[Si](C)(C)C
InChIInChI=1S/C8H20N2OSi/c1-5-6-7-9-8(11)10-12(2,3)4/h5-7H2,1-4H3,(H2,9,10,11)
InChIKeyZOLNCZDYWAWNSL-UHFFFAOYSA-N
MW188.35 g/mol
LogP1.92
Rot. Bonds4

About 1-butyl-3-trimethylsilylurea

1-butyl-3-trimethylsilylurea (PubChem CID 13070988) has the molecular formula C8H20N2OSi and a molecular weight of 188.35 g/mol. Its IUPAC name is 1-butyl-3-trimethylsilylurea.

Molecular Properties

Compound Name1-butyl-3-trimethylsilylurea
PubChem CID13070988
Molecular FormulaC8H20N2OSi
Molecular Weight188.35 g/mol
Exact Mass188.13
IUPAC Name1-butyl-3-trimethylsilylurea
SMILESCCCCNC(=O)N[Si](C)(C)C
InChIInChI=1S/C8H20N2OSi/c1-5-6-7-9-8(11)10-12(2,3)4/h5-7H2,1-4H3,(H2,9,10,11)
InChIKeyZOLNCZDYWAWNSL-UHFFFAOYSA-N
XLogP1.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
1-butyl-3-octylurea
CID 17269600
1-butyl-3-methylurea;hydrochloride
CID 20501295
2-N,6-N-bis(butylcarbamoyl)pyridine-2,6-dicarboxamide
CID 139129379
N-(butylcarbamoyl)-2-hydroxybenzamide
CID 142955512
(2R,3S)-N,N'-dibutyl-2,3-bis(trimethylsilyl)butanediamide
CID 10667035
1-(3-amino-3-sulfanylidenepropyl)-3-butylurea
CID 62666323
butylcarbamic acid
CID 3026651
1-propyl-3-tridecylurea
CID 10934987
1-butyl-3-cyanourea
CID 115571493
1-butyl-3-prop-2-ynylurea
CID 14344956
1-butyl-3-(methylideneamino)urea
CID 6712820

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-trimethylsilylurea?
The IUPAC name of 1-butyl-3-trimethylsilylurea (CID 13070988) is 1-butyl-3-trimethylsilylurea.
What is the SMILES notation for 1-butyl-3-trimethylsilylurea?
The canonical SMILES for 1-butyl-3-trimethylsilylurea is CCCCNC(=O)N[Si](C)(C)C.
What is the InChIKey of 1-butyl-3-trimethylsilylurea?
The InChIKey is ZOLNCZDYWAWNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2OSi/c1-5-6-7-9-8(11)10-12(2,3)4/h5-7H2,1-4H3,(H2,9,10,11).
What are the key properties of 1-butyl-3-trimethylsilylurea?
1-butyl-3-trimethylsilylurea has a molecular weight of 188.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-trimethylsilylurea is sourced from PubChem (CID 13070988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).