1,1-dimethyl-3-(3-methyloxan-3-yl)urea

C9H18N2O2 — CID 103896191

IUPAC1,1-dimethyl-3-(3-methyloxan-3-yl)urea
SMILESCN(C)C(=O)NC1(C)CCCOC1
InChIInChI=1S/C9H18N2O2/c1-9(5-4-6-13-7-9)10-8(12)11(2)3/h4-7H2,1-3H3,(H,10,12)
InChIKeyPWNDTNHBHCVSTA-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds1

About 1,1-dimethyl-3-(3-methyloxan-3-yl)urea

1,1-dimethyl-3-(3-methyloxan-3-yl)urea (PubChem CID 103896191) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,1-dimethyl-3-(3-methyloxan-3-yl)urea.

Molecular Properties

Compound Name1,1-dimethyl-3-(3-methyloxan-3-yl)urea
PubChem CID103896191
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1,1-dimethyl-3-(3-methyloxan-3-yl)urea
SMILESCN(C)C(=O)NC1(C)CCCOC1
InChIInChI=1S/C9H18N2O2/c1-9(5-4-6-13-7-9)10-8(12)11(2)3/h4-7H2,1-3H3,(H,10,12)
InChIKeyPWNDTNHBHCVSTA-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-(3-methyloxan-3-yl)urea?
The IUPAC name of 1,1-dimethyl-3-(3-methyloxan-3-yl)urea (CID 103896191) is 1,1-dimethyl-3-(3-methyloxan-3-yl)urea.
What is the SMILES notation for 1,1-dimethyl-3-(3-methyloxan-3-yl)urea?
The canonical SMILES for 1,1-dimethyl-3-(3-methyloxan-3-yl)urea is CN(C)C(=O)NC1(C)CCCOC1.
What is the InChIKey of 1,1-dimethyl-3-(3-methyloxan-3-yl)urea?
The InChIKey is PWNDTNHBHCVSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(5-4-6-13-7-9)10-8(12)11(2)3/h4-7H2,1-3H3,(H,10,12).
What are the key properties of 1,1-dimethyl-3-(3-methyloxan-3-yl)urea?
1,1-dimethyl-3-(3-methyloxan-3-yl)urea has a molecular weight of 186.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-(3-methyloxan-3-yl)urea is sourced from PubChem (CID 103896191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).