1,1,3-trimethyl-3-propan-2-ylurea

C7H16N2O — CID 19962444

IUPAC1,1,3-trimethyl-3-propan-2-ylurea
SMILESCC(C)N(C)C(=O)N(C)C
InChIInChI=1S/C7H16N2O/c1-6(2)9(5)7(10)8(3)4/h6H,1-5H3
InChIKeyTXUFNEXHZOYJDK-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.01
Rot. Bonds1

About 1,1,3-trimethyl-3-propan-2-ylurea

1,1,3-trimethyl-3-propan-2-ylurea (PubChem CID 19962444) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1,1,3-trimethyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1,1,3-trimethyl-3-propan-2-ylurea
PubChem CID19962444
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1,1,3-trimethyl-3-propan-2-ylurea
SMILESCC(C)N(C)C(=O)N(C)C
InChIInChI=1S/C7H16N2O/c1-6(2)9(5)7(10)8(3)4/h6H,1-5H3
InChIKeyTXUFNEXHZOYJDK-UHFFFAOYSA-N
XLogP1.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.01
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-propan-2-ylurea?
The IUPAC name of 1,1,3-trimethyl-3-propan-2-ylurea (CID 19962444) is 1,1,3-trimethyl-3-propan-2-ylurea.
What is the SMILES notation for 1,1,3-trimethyl-3-propan-2-ylurea?
The canonical SMILES for 1,1,3-trimethyl-3-propan-2-ylurea is CC(C)N(C)C(=O)N(C)C.
What is the InChIKey of 1,1,3-trimethyl-3-propan-2-ylurea?
The InChIKey is TXUFNEXHZOYJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(2)9(5)7(10)8(3)4/h6H,1-5H3.
What are the key properties of 1,1,3-trimethyl-3-propan-2-ylurea?
1,1,3-trimethyl-3-propan-2-ylurea has a molecular weight of 144.22 g/mol, XLogP of 1.01, 1 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-propan-2-ylurea is sourced from PubChem (CID 19962444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).