1-(3-amino-3-methylbutyl)-3-ethylurea

C8H19N3O — CID 56974230

IUPAC1-(3-amino-3-methylbutyl)-3-ethylurea
SMILESCCNC(=O)NCCC(C)(C)N
InChIInChI=1S/C8H19N3O/c1-4-10-7(12)11-6-5-8(2,3)9/h4-6,9H2,1-3H3,(H2,10,11,12)
InChIKeyAYCKMZLLEUKQHY-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.43
Rot. Bonds4

About 1-(3-amino-3-methylbutyl)-3-ethylurea

1-(3-amino-3-methylbutyl)-3-ethylurea (PubChem CID 56974230) has the molecular formula C8H19N3O and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(3-amino-3-methylbutyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3-amino-3-methylbutyl)-3-ethylurea
PubChem CID56974230
Molecular FormulaC8H19N3O
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC Name1-(3-amino-3-methylbutyl)-3-ethylurea
SMILESCCNC(=O)NCCC(C)(C)N
InChIInChI=1S/C8H19N3O/c1-4-10-7(12)11-6-5-8(2,3)9/h4-6,9H2,1-3H3,(H2,10,11,12)
InChIKeyAYCKMZLLEUKQHY-UHFFFAOYSA-N
XLogP0.43
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3-methylbutyl)-3-ethylurea?
The IUPAC name of 1-(3-amino-3-methylbutyl)-3-ethylurea (CID 56974230) is 1-(3-amino-3-methylbutyl)-3-ethylurea.
What is the SMILES notation for 1-(3-amino-3-methylbutyl)-3-ethylurea?
The canonical SMILES for 1-(3-amino-3-methylbutyl)-3-ethylurea is CCNC(=O)NCCC(C)(C)N.
What is the InChIKey of 1-(3-amino-3-methylbutyl)-3-ethylurea?
The InChIKey is AYCKMZLLEUKQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O/c1-4-10-7(12)11-6-5-8(2,3)9/h4-6,9H2,1-3H3,(H2,10,11,12).
What are the key properties of 1-(3-amino-3-methylbutyl)-3-ethylurea?
1-(3-amino-3-methylbutyl)-3-ethylurea has a molecular weight of 173.26 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3-methylbutyl)-3-ethylurea is sourced from PubChem (CID 56974230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).