1,3-dimethyl-1,3-bis(2-methylpropyl)urea

C11H24N2O — CID 58223946

IUPAC1,3-dimethyl-1,3-bis(2-methylpropyl)urea
SMILESCC(C)CN(C)C(=O)N(C)CC(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)7-12(5)11(14)13(6)8-10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyHQEOBHRGUGTRTN-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.28
Rot. Bonds4

About 1,3-dimethyl-1,3-bis(2-methylpropyl)urea

1,3-dimethyl-1,3-bis(2-methylpropyl)urea (PubChem CID 58223946) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-bis(2-methylpropyl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1,3-bis(2-methylpropyl)urea
PubChem CID58223946
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,3-dimethyl-1,3-bis(2-methylpropyl)urea
SMILESCC(C)CN(C)C(=O)N(C)CC(C)C
InChIInChI=1S/C11H24N2O/c1-9(2)7-12(5)11(14)13(6)8-10(3)4/h9-10H,7-8H2,1-6H3
InChIKeyHQEOBHRGUGTRTN-UHFFFAOYSA-N
XLogP2.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-bis(2-methylpropyl)urea?
The IUPAC name of 1,3-dimethyl-1,3-bis(2-methylpropyl)urea (CID 58223946) is 1,3-dimethyl-1,3-bis(2-methylpropyl)urea.
What is the SMILES notation for 1,3-dimethyl-1,3-bis(2-methylpropyl)urea?
The canonical SMILES for 1,3-dimethyl-1,3-bis(2-methylpropyl)urea is CC(C)CN(C)C(=O)N(C)CC(C)C.
What is the InChIKey of 1,3-dimethyl-1,3-bis(2-methylpropyl)urea?
The InChIKey is HQEOBHRGUGTRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(2)7-12(5)11(14)13(6)8-10(3)4/h9-10H,7-8H2,1-6H3.
What are the key properties of 1,3-dimethyl-1,3-bis(2-methylpropyl)urea?
1,3-dimethyl-1,3-bis(2-methylpropyl)urea has a molecular weight of 200.33 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-bis(2-methylpropyl)urea is sourced from PubChem (CID 58223946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).