1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea

C14H28N2O — CID 59547464

IUPAC1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea
SMILESC[C@@H]1CC(C)(C)CC(C)(CNC(=O)N(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11-7-13(2,3)9-14(4,8-11)10-15-12(17)16(5)6/h11H,7-10H2,1-6H3,(H,15,17)/t11-,14?/m1/s1
InChIKeyXTOSMVGISQWJFW-YNODCEANSA-N
MW240.39 g/mol
LogP3.11
Rot. Bonds2

About 1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea

1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea (PubChem CID 59547464) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea
PubChem CID59547464
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea
SMILESC[C@@H]1CC(C)(C)CC(C)(CNC(=O)N(C)C)C1
InChIInChI=1S/C14H28N2O/c1-11-7-13(2,3)9-14(4,8-11)10-15-12(17)16(5)6/h11H,7-10H2,1-6H3,(H,15,17)/t11-,14?/m1/s1
InChIKeyXTOSMVGISQWJFW-YNODCEANSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.11
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-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea (CID 59547464) is 1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea is C[C@@H]1CC(C)(C)CC(C)(CNC(=O)N(C)C)C1.
What is the InChIKey of 1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea?
The InChIKey is XTOSMVGISQWJFW-YNODCEANSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11-7-13(2,3)9-14(4,8-11)10-15-12(17)16(5)6/h11H,7-10H2,1-6H3,(H,15,17)/t11-,14?/m1/s1.
What are the key properties of 1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea?
1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea has a molecular weight of 240.39 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[[(5R)-1,3,3,5-tetramethylcyclohexyl]methyl]urea is sourced from PubChem (CID 59547464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).