3-(5-hydroxypentyl)-1,1-dimethylurea

C8H18N2O2 — CID 107302711

IUPAC3-(5-hydroxypentyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCCCCCO
InChIInChI=1S/C8H18N2O2/c1-10(2)8(12)9-6-4-3-5-7-11/h11H,3-7H2,1-2H3,(H,9,12)
InChIKeyMRXXYVRKOXRXIE-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.42
Rot. Bonds5

About 3-(5-hydroxypentyl)-1,1-dimethylurea

3-(5-hydroxypentyl)-1,1-dimethylurea (PubChem CID 107302711) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-(5-hydroxypentyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(5-hydroxypentyl)-1,1-dimethylurea
PubChem CID107302711
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-(5-hydroxypentyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCCCCCO
InChIInChI=1S/C8H18N2O2/c1-10(2)8(12)9-6-4-3-5-7-11/h11H,3-7H2,1-2H3,(H,9,12)
InChIKeyMRXXYVRKOXRXIE-UHFFFAOYSA-N
XLogP0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-(18-hydroxyoctadecyl)acetamide
CID 163653558
2-(dimethylamino)-N-(8-hydroxyoctyl)acetamide
CID 154671930
3-[2-(dodecylamino)ethyl]-1,1-dimethylurea
CID 83113481
12-hydroxydodecylurea
CID 57265418
1-hexadecyl-3-(4-hydroxybutyl)urea
CID 170630543
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280
3-[[5-hydroxypentyl(methyl)carbamoyl]amino]propanoic acid
CID 107201708
N'-(2-acetamidoethyl)-N-(5-hydroxypentyl)oxamide
CID 108525833
3-[butyl(methyl)amino]-N-(5-hydroxypentyl)propanamide
CID 108795355
CID 162306513
CID 162306513
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052

Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxypentyl)-1,1-dimethylurea?
The IUPAC name of 3-(5-hydroxypentyl)-1,1-dimethylurea (CID 107302711) is 3-(5-hydroxypentyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(5-hydroxypentyl)-1,1-dimethylurea?
The canonical SMILES for 3-(5-hydroxypentyl)-1,1-dimethylurea is CN(C)C(=O)NCCCCCO.
What is the InChIKey of 3-(5-hydroxypentyl)-1,1-dimethylurea?
The InChIKey is MRXXYVRKOXRXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-10(2)8(12)9-6-4-3-5-7-11/h11H,3-7H2,1-2H3,(H,9,12).
What are the key properties of 3-(5-hydroxypentyl)-1,1-dimethylurea?
3-(5-hydroxypentyl)-1,1-dimethylurea has a molecular weight of 174.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxypentyl)-1,1-dimethylurea is sourced from PubChem (CID 107302711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).