2-(6-hydroxyhexylamino)ethylurea

C9H21N3O2 — CID 107703572

IUPAC2-(6-hydroxyhexylamino)ethylurea
SMILESNC(=O)NCCNCCCCCCO
InChIInChI=1S/C9H21N3O2/c10-9(14)12-7-6-11-5-3-1-2-4-8-13/h11,13H,1-8H2,(H3,10,12,14)
InChIKeyHDLJXZYJPJWGJV-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.20
Rot. Bonds9

About 2-(6-hydroxyhexylamino)ethylurea

2-(6-hydroxyhexylamino)ethylurea (PubChem CID 107703572) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(6-hydroxyhexylamino)ethylurea.

Molecular Properties

Compound Name2-(6-hydroxyhexylamino)ethylurea
PubChem CID107703572
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name2-(6-hydroxyhexylamino)ethylurea
SMILESNC(=O)NCCNCCCCCCO
InChIInChI=1S/C9H21N3O2/c10-9(14)12-7-6-11-5-3-1-2-4-8-13/h11,13H,1-8H2,(H3,10,12,14)
InChIKeyHDLJXZYJPJWGJV-UHFFFAOYSA-N
XLogP-0.20
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-hydroxydodecylurea
CID 57265418
2-[2-(2-aminoethylamino)ethylamino]ethylurea
CID 175595434
3-(5-hydroxypentylamino)propanamide
CID 62227149
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
2-(4-methylsulfanylbutylamino)ethylurea
CID 103088336
N-[2-(6-hydroxyhexylamino)ethyl]cyclopropanecarboxamide
CID 103738634
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
2-hydroxyethylurea;iron
CID 174789558
(E)-N-[2-(8-hydroxyoctylamino)ethyl]hept-5-enamide
CID 101274786
2-(3-pyrrolidin-1-ylpropylamino)ethylurea
CID 83114078
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]ethylurea
CID 106711535

Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxyhexylamino)ethylurea?
The IUPAC name of 2-(6-hydroxyhexylamino)ethylurea (CID 107703572) is 2-(6-hydroxyhexylamino)ethylurea.
What is the SMILES notation for 2-(6-hydroxyhexylamino)ethylurea?
The canonical SMILES for 2-(6-hydroxyhexylamino)ethylurea is NC(=O)NCCNCCCCCCO.
What is the InChIKey of 2-(6-hydroxyhexylamino)ethylurea?
The InChIKey is HDLJXZYJPJWGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c10-9(14)12-7-6-11-5-3-1-2-4-8-13/h11,13H,1-8H2,(H3,10,12,14).
What are the key properties of 2-(6-hydroxyhexylamino)ethylurea?
2-(6-hydroxyhexylamino)ethylurea has a molecular weight of 203.29 g/mol, XLogP of -0.20, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxyhexylamino)ethylurea is sourced from PubChem (CID 107703572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).