3-[3-(ethylamino)propoxy]propylurea

C9H21N3O2 — CID 22381168

IUPAC3-[3-(ethylamino)propoxy]propylurea
SMILESCCNCCCOCCCNC(N)=O
InChIInChI=1S/C9H21N3O2/c1-2-11-5-3-7-14-8-4-6-12-9(10)13/h11H,2-8H2,1H3,(H3,10,12,13)
InChIKeyYKVULTMFFDLZPT-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.06
Rot. Bonds9

About 3-[3-(ethylamino)propoxy]propylurea

3-[3-(ethylamino)propoxy]propylurea (PubChem CID 22381168) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-[3-(ethylamino)propoxy]propylurea.

Molecular Properties

Compound Name3-[3-(ethylamino)propoxy]propylurea
PubChem CID22381168
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name3-[3-(ethylamino)propoxy]propylurea
SMILESCCNCCCOCCCNC(N)=O
InChIInChI=1S/C9H21N3O2/c1-2-11-5-3-7-14-8-4-6-12-9(10)13/h11H,2-8H2,1H3,(H3,10,12,13)
InChIKeyYKVULTMFFDLZPT-UHFFFAOYSA-N
XLogP0.06
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.06
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

3-butoxypropylurea
CID 115575573
N-[3-[3-(ethylamino)propoxy]propyl]-2-methylpropanamide
CID 167107449
[1,3-bis[3-(ethylamino)propoxy]-2-[3-(ethylamino)propoxymethyl]propan-2-yl]urea
CID 90147930
3-methoxypropylurea
CID 2064040
4-ethoxy-N-[3-[2-[2-[3-(ethylamino)propoxy]ethoxy]ethoxy]propyl]butanamide;molecular hydrogen
CID 162749894
3-(ethylamino)propyl acetate
CID 88999125
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
3-[2-(2-butoxyethoxy)ethoxy]-N-ethylpropan-1-amine
CID 89283788
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133
N-ethyl-3-(3-methoxypropoxy)propan-1-amine
CID 62442625
N-ethyl-2-(3-propoxypropylamino)acetamide
CID 82943813

Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)propoxy]propylurea?
The IUPAC name of 3-[3-(ethylamino)propoxy]propylurea (CID 22381168) is 3-[3-(ethylamino)propoxy]propylurea.
What is the SMILES notation for 3-[3-(ethylamino)propoxy]propylurea?
The canonical SMILES for 3-[3-(ethylamino)propoxy]propylurea is CCNCCCOCCCNC(N)=O.
What is the InChIKey of 3-[3-(ethylamino)propoxy]propylurea?
The InChIKey is YKVULTMFFDLZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-2-11-5-3-7-14-8-4-6-12-9(10)13/h11H,2-8H2,1H3,(H3,10,12,13).
What are the key properties of 3-[3-(ethylamino)propoxy]propylurea?
3-[3-(ethylamino)propoxy]propylurea has a molecular weight of 203.29 g/mol, XLogP of 0.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)propoxy]propylurea is sourced from PubChem (CID 22381168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).