1-cyclohexyl-3-[2-(diethylamino)ethyl]urea

C13H27N3O — CID 2054543

IUPAC1-cyclohexyl-3-[2-(diethylamino)ethyl]urea
SMILESCCN(CC)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-3-16(4-2)11-10-14-13(17)15-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H2,14,15,17)
InChIKeyDNWRAYYUHPMMJM-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.96
Rot. Bonds6

About 1-cyclohexyl-3-[2-(diethylamino)ethyl]urea

1-cyclohexyl-3-[2-(diethylamino)ethyl]urea (PubChem CID 2054543) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(diethylamino)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(diethylamino)ethyl]urea
PubChem CID2054543
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name1-cyclohexyl-3-[2-(diethylamino)ethyl]urea
SMILESCCN(CC)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-3-16(4-2)11-10-14-13(17)15-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H2,14,15,17)
InChIKeyDNWRAYYUHPMMJM-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(diethylamino)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(diethylamino)ethyl]urea (CID 2054543) is 1-cyclohexyl-3-[2-(diethylamino)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(diethylamino)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(diethylamino)ethyl]urea is CCN(CC)CCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(diethylamino)ethyl]urea?
The InChIKey is DNWRAYYUHPMMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-16(4-2)11-10-14-13(17)15-12-8-6-5-7-9-12/h12H,3-11H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-cyclohexyl-3-[2-(diethylamino)ethyl]urea?
1-cyclohexyl-3-[2-(diethylamino)ethyl]urea has a molecular weight of 241.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(diethylamino)ethyl]urea is sourced from PubChem (CID 2054543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).