2-(oxan-2-ylmethylamino)ethylurea

C9H19N3O2 — CID 83120835

IUPAC2-(oxan-2-ylmethylamino)ethylurea
SMILESNC(=O)NCCNCC1CCCCO1
InChIInChI=1S/C9H19N3O2/c10-9(13)12-5-4-11-7-8-3-1-2-6-14-8/h8,11H,1-7H2,(H3,10,12,13)
InChIKeyNBXCPIDKHFACQF-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.19
Rot. Bonds5

About 2-(oxan-2-ylmethylamino)ethylurea

2-(oxan-2-ylmethylamino)ethylurea (PubChem CID 83120835) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(oxan-2-ylmethylamino)ethylurea.

Molecular Properties

Compound Name2-(oxan-2-ylmethylamino)ethylurea
PubChem CID83120835
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-(oxan-2-ylmethylamino)ethylurea
SMILESNC(=O)NCCNCC1CCCCO1
InChIInChI=1S/C9H19N3O2/c10-9(13)12-5-4-11-7-8-3-1-2-6-14-8/h8,11H,1-7H2,(H3,10,12,13)
InChIKeyNBXCPIDKHFACQF-UHFFFAOYSA-N
XLogP-0.19
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.19
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

4-(oxan-2-ylmethylamino)butanoic acid
CID 43473562
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide
CID 113225012
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
4-methyl-6-(oxan-2-ylmethylamino)hexanoic acid
CID 65289755
1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
CID 97222999
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806763
2-hydroxy-3-(oxolan-2-ylmethylamino)propanamide
CID 106171048
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethylamino)ethylurea?
The IUPAC name of 2-(oxan-2-ylmethylamino)ethylurea (CID 83120835) is 2-(oxan-2-ylmethylamino)ethylurea.
What is the SMILES notation for 2-(oxan-2-ylmethylamino)ethylurea?
The canonical SMILES for 2-(oxan-2-ylmethylamino)ethylurea is NC(=O)NCCNCC1CCCCO1.
What is the InChIKey of 2-(oxan-2-ylmethylamino)ethylurea?
The InChIKey is NBXCPIDKHFACQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-9(13)12-5-4-11-7-8-3-1-2-6-14-8/h8,11H,1-7H2,(H3,10,12,13).
What are the key properties of 2-(oxan-2-ylmethylamino)ethylurea?
2-(oxan-2-ylmethylamino)ethylurea has a molecular weight of 201.27 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethylamino)ethylurea is sourced from PubChem (CID 83120835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).