1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea

C15H30N2O — CID 11139699

IUPAC1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)11-15(4,5)17-13(18)16-12-9-7-6-8-10-12/h12H,6-11H2,1-5H3,(H2,16,17,18)
InChIKeyMKFMYJMFICNOOV-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.83
Rot. Bonds3

About 1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea

1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea (PubChem CID 11139699) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea
PubChem CID11139699
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)11-15(4,5)17-13(18)16-12-9-7-6-8-10-12/h12H,6-11H2,1-5H3,(H2,16,17,18)
InChIKeyMKFMYJMFICNOOV-UHFFFAOYSA-N
XLogP3.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea (CID 11139699) is 1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea is CC(C)(C)CC(C)(C)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea?
The InChIKey is MKFMYJMFICNOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)11-15(4,5)17-13(18)16-12-9-7-6-8-10-12/h12H,6-11H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea?
1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea has a molecular weight of 254.42 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,4,4-trimethylpentan-2-yl)urea is sourced from PubChem (CID 11139699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).