3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea

C11H23N3O2 — CID 106595003

IUPAC3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNC1CCC(O)CC1
InChIInChI=1S/C11H23N3O2/c1-14(2)11(16)13-8-7-12-9-3-5-10(15)6-4-9/h9-10,12,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyPKKQKEIPPSIXHJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.15
Rot. Bonds4

About 3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea

3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea (PubChem CID 106595003) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea
PubChem CID106595003
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCNC1CCC(O)CC1
InChIInChI=1S/C11H23N3O2/c1-14(2)11(16)13-8-7-12-9-3-5-10(15)6-4-9/h9-10,12,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyPKKQKEIPPSIXHJ-UHFFFAOYSA-N
XLogP0.15
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 83116217
1,1-dimethyl-3-[2-[(3-methylcyclopentyl)amino]ethyl]urea
CID 83115963
3-[2-[(1,1-dioxothian-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117132
ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
1,1-dimethyl-3-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]ethyl]urea
CID 112682262
3-cyclopropyl-1-[2-(dimethylcarbamoylamino)ethyl]-1-methylurea
CID 75449864
methyl N-[2-(cyclopropylamino)ethyl]carbamate
CID 62663328
4-[2-(ethylamino)ethylamino]cyclohexan-1-ol
CID 90837850
3-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)ethyl]-1,1-dimethylurea
CID 83116933
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
3-[2-[(1-benzylpyrrolidin-3-yl)amino]ethyl]-1,1-dimethylurea
CID 83108275
3-(2-cyclobutylethyl)-1,1-dimethylurea
CID 115687259

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea (CID 106595003) is 3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCNC1CCC(O)CC1.
What is the InChIKey of 3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea?
The InChIKey is PKKQKEIPPSIXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-14(2)11(16)13-8-7-12-9-3-5-10(15)6-4-9/h9-10,12,15H,3-8H2,1-2H3,(H,13,16).
What are the key properties of 3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea?
3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea has a molecular weight of 229.32 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 106595003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).