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

C11H23N3O — CID 876098

IUPAC1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyNZEDGSZBHQVOJM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.18
Rot. Bonds4

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

1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea (PubChem CID 876098) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea
PubChem CID876098
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NC1CCCCC1
InChIInChI=1S/C11H23N3O/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyNZEDGSZBHQVOJM-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.18
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-(dimethylamino)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea (CID 876098) is 1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is NZEDGSZBHQVOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea?
1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 213.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 876098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).