1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea

C9H20N2O — CID 88894836

IUPAC1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)N(C)C(=O)N(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)8(3)11(6)9(12)10(4)5/h7-8H,1-6H3
InChIKeyHVKYZUPJJJBASH-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.64
Rot. Bonds2

About 1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea

1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea (PubChem CID 88894836) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea
PubChem CID88894836
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea
SMILESCC(C)C(C)N(C)C(=O)N(C)C
InChIInChI=1S/C9H20N2O/c1-7(2)8(3)11(6)9(12)10(4)5/h7-8H,1-6H3
InChIKeyHVKYZUPJJJBASH-UHFFFAOYSA-N
XLogP1.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea?
The IUPAC name of 1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea (CID 88894836) is 1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea.
What is the SMILES notation for 1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea?
The canonical SMILES for 1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea is CC(C)C(C)N(C)C(=O)N(C)C.
What is the InChIKey of 1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea?
The InChIKey is HVKYZUPJJJBASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-7(2)8(3)11(6)9(12)10(4)5/h7-8H,1-6H3.
What are the key properties of 1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea?
1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea has a molecular weight of 172.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-3-(3-methylbutan-2-yl)urea is sourced from PubChem (CID 88894836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).