1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea

C9H19N3O2 — CID 106308098

IUPAC1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea
SMILESNCCOCCCNC(=O)NC1CC1
InChIInChI=1S/C9H19N3O2/c10-4-7-14-6-1-5-11-9(13)12-8-2-3-8/h8H,1-7,10H2,(H2,11,12,13)
InChIKeyPITLHWVRQGSTRS-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.19
Rot. Bonds7

About 1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea

1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea (PubChem CID 106308098) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea.

Molecular Properties

Compound Name1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea
PubChem CID106308098
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea
SMILESNCCOCCCNC(=O)NC1CC1
InChIInChI=1S/C9H19N3O2/c10-4-7-14-6-1-5-11-9(13)12-8-2-3-8/h8H,1-7,10H2,(H2,11,12,13)
InChIKeyPITLHWVRQGSTRS-UHFFFAOYSA-N
XLogP-0.19
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

1-(4-methylcyclohexyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 86927545
1-(3-cyclopentyloxypropyl)-3-(4-hydroxycyclohexyl)urea
CID 48915772
1-[2-(carbamoylamino)ethyl]-3-cyclopropylurea
CID 115635300
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
1-cyclobutyl-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 116658500
1-(oxolan-3-yl)-3-(3-propoxypropyl)urea
CID 116657253
tert-butyl N-[3-(2-aminoethoxy)propyl]carbamate
CID 87187149
1-cyclopropyl-3-(4,4-dimethylpentyl)urea
CID 110617831
1-(2-aminooxyethyl)-3-cyclopentylurea
CID 143252596
1-cyclohexyl-3-(3-ethenoxypropyl)urea
CID 103601350
1-cyclobutyl-3-(4-methoxybutyl)urea
CID 84519072
4-[3-(oxan-4-ylmethoxy)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122023417

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea?
The IUPAC name of 1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea (CID 106308098) is 1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea.
What is the SMILES notation for 1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea?
The canonical SMILES for 1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea is NCCOCCCNC(=O)NC1CC1.
What is the InChIKey of 1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea?
The InChIKey is PITLHWVRQGSTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c10-4-7-14-6-1-5-11-9(13)12-8-2-3-8/h8H,1-7,10H2,(H2,11,12,13).
What are the key properties of 1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea?
1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea has a molecular weight of 201.27 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethoxy)propyl]-3-cyclopropylurea is sourced from PubChem (CID 106308098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).