1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea

C12H26N2O — CID 87304163

IUPAC1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea
SMILESCC(C)CN(C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)8-13(7)12(15)14(10(3)4)11(5)6/h9-11H,8H2,1-7H3
InChIKeyQEXLZKVNBHKGIN-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.81
Rot. Bonds4

About 1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea

1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea (PubChem CID 87304163) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea
PubChem CID87304163
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea
SMILESCC(C)CN(C)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-9(2)8-13(7)12(15)14(10(3)4)11(5)6/h9-11H,8H2,1-7H3
InChIKeyQEXLZKVNBHKGIN-UHFFFAOYSA-N
XLogP2.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea?
The IUPAC name of 1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea (CID 87304163) is 1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea.
What is the SMILES notation for 1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea?
The canonical SMILES for 1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea is CC(C)CN(C)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea?
The InChIKey is QEXLZKVNBHKGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-9(2)8-13(7)12(15)14(10(3)4)11(5)6/h9-11H,8H2,1-7H3.
What are the key properties of 1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea?
1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea has a molecular weight of 214.35 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-methylpropyl)-3,3-di(propan-2-yl)urea is sourced from PubChem (CID 87304163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).