1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea

C11H22N2O — CID 118603774

IUPAC1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea
SMILESCC[C@@H](CNC(=O)N(C)C)[C@@H]1CC1C
InChIInChI=1S/C11H22N2O/c1-5-9(10-6-8(10)2)7-12-11(14)13(3)4/h8-10H,5-7H2,1-4H3,(H,12,14)/t8?,9-,10+/m0/s1
InChIKeyXOPIQOXZAYLBAM-CBMCFHRWSA-N
MW198.31 g/mol
LogP1.94
Rot. Bonds4

About 1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea

1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea (PubChem CID 118603774) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea
PubChem CID118603774
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea
SMILESCC[C@@H](CNC(=O)N(C)C)[C@@H]1CC1C
InChIInChI=1S/C11H22N2O/c1-5-9(10-6-8(10)2)7-12-11(14)13(3)4/h8-10H,5-7H2,1-4H3,(H,12,14)/t8?,9-,10+/m0/s1
InChIKeyXOPIQOXZAYLBAM-CBMCFHRWSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea?
The IUPAC name of 1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea (CID 118603774) is 1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea is CC[C@@H](CNC(=O)N(C)C)[C@@H]1CC1C.
What is the InChIKey of 1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea?
The InChIKey is XOPIQOXZAYLBAM-CBMCFHRWSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-9(10-6-8(10)2)7-12-11(14)13(3)4/h8-10H,5-7H2,1-4H3,(H,12,14)/t8?,9-,10+/m0/s1.
What are the key properties of 1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea?
1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea has a molecular weight of 198.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(2R)-2-[(1R)-2-methylcyclopropyl]butyl]urea is sourced from PubChem (CID 118603774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).