1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea

C16H33N3O — CID 4183839

IUPAC1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea
SMILESCCN(CC)CCCC(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H33N3O/c1-4-19(5-2)13-9-10-14(3)17-16(20)18-15-11-7-6-8-12-15/h14-15H,4-13H2,1-3H3,(H2,17,18,20)
InChIKeyYEQZUGWOEXKKRH-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.13
Rot. Bonds8

About 1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea

1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea (PubChem CID 4183839) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea
PubChem CID4183839
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea
SMILESCCN(CC)CCCC(C)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H33N3O/c1-4-19(5-2)13-9-10-14(3)17-16(20)18-15-11-7-6-8-12-15/h14-15H,4-13H2,1-3H3,(H2,17,18,20)
InChIKeyYEQZUGWOEXKKRH-UHFFFAOYSA-N
XLogP3.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Cyclohexyl-3-dodecylurea
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N-Cyclohexyl-N'-heptylurea
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CID 974775
1-Cyclohexyl-3-hexyl urea
CID 5151394
1-Cyclohexyl-3-tetradecyl-urea
CID 10936690
N-cyclohexyl-1-pyrrolidinecarboxamide
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1-Tert-butyl-3-cyclohexylurea
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea (CID 4183839) is 1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea is CCN(CC)CCCC(C)NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea?
The InChIKey is YEQZUGWOEXKKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-19(5-2)13-9-10-14(3)17-16(20)18-15-11-7-6-8-12-15/h14-15H,4-13H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea?
1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea has a molecular weight of 283.46 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-(diethylamino)pentan-2-yl]urea is sourced from PubChem (CID 4183839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).