1,1-diethyl-3,3-di(propan-2-yl)urea

C11H24N2O — CID 12820356

IUPAC1,1-diethyl-3,3-di(propan-2-yl)urea
SMILESCCN(CC)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H24N2O/c1-7-12(8-2)11(14)13(9(3)4)10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyVLEHAWTWGAEILB-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.57
Rot. Bonds4

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

1,1-diethyl-3,3-di(propan-2-yl)urea (PubChem CID 12820356) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,1-diethyl-3,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3,3-di(propan-2-yl)urea
PubChem CID12820356
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,1-diethyl-3,3-di(propan-2-yl)urea
SMILESCCN(CC)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C11H24N2O/c1-7-12(8-2)11(14)13(9(3)4)10(5)6/h9-10H,7-8H2,1-6H3
InChIKeyVLEHAWTWGAEILB-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3,3-di(propan-2-yl)urea?
The IUPAC name of 1,1-diethyl-3,3-di(propan-2-yl)urea (CID 12820356) is 1,1-diethyl-3,3-di(propan-2-yl)urea.
What is the SMILES notation for 1,1-diethyl-3,3-di(propan-2-yl)urea?
The canonical SMILES for 1,1-diethyl-3,3-di(propan-2-yl)urea is CCN(CC)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 1,1-diethyl-3,3-di(propan-2-yl)urea?
The InChIKey is VLEHAWTWGAEILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-7-12(8-2)11(14)13(9(3)4)10(5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 1,1-diethyl-3,3-di(propan-2-yl)urea?
1,1-diethyl-3,3-di(propan-2-yl)urea has a molecular weight of 200.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3,3-di(propan-2-yl)urea is sourced from PubChem (CID 12820356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).