1-(2-aminoethyl)-3-(oxolan-2-yl)urea

C7H15N3O2 — CID 117234856

IUPAC1-(2-aminoethyl)-3-(oxolan-2-yl)urea
SMILESNCCNC(=O)NC1CCCO1
InChIInChI=1S/C7H15N3O2/c8-3-4-9-7(11)10-6-2-1-5-12-6/h6H,1-5,8H2,(H2,9,10,11)
InChIKeyBJXPTFRCIIQYTO-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.62
Rot. Bonds3

About 1-(2-aminoethyl)-3-(oxolan-2-yl)urea

1-(2-aminoethyl)-3-(oxolan-2-yl)urea (PubChem CID 117234856) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(oxolan-2-yl)urea.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(oxolan-2-yl)urea
PubChem CID117234856
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name1-(2-aminoethyl)-3-(oxolan-2-yl)urea
SMILESNCCNC(=O)NC1CCCO1
InChIInChI=1S/C7H15N3O2/c8-3-4-9-7(11)10-6-2-1-5-12-6/h6H,1-5,8H2,(H2,9,10,11)
InChIKeyBJXPTFRCIIQYTO-UHFFFAOYSA-N
XLogP-0.62
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-(oxolan-2-ylcarbamoylamino)ethyl]carbamate
CID 108887945
1-[2-(2,4-dichlorophenyl)ethyl]-3-(oxolan-2-yl)urea
CID 110706680
1-[2-(4-bromophenyl)ethyl]-3-(oxolan-2-yl)urea
CID 108887929
1-(oxolan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 110706626
1-cyclododecyl-3-(oxolan-2-yl)urea
CID 108887824
1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
1-(2-aminoethyl)-3-(thian-3-yl)urea
CID 117234777
ethyl 4-(oxolan-2-ylcarbamoylamino)piperidine-1-carboxylate
CID 110706653
N-[2-(2-aminoethoxy)ethyl]oxolane-2-carboxamide
CID 63753369
1-(azepan-3-yl)-3-(oxolan-2-yl)urea
CID 117234826
1-(2,5-dimethylphenyl)-3-(oxolan-2-yl)urea
CID 110706691
1-naphthalen-1-yl-3-(oxolan-2-yl)urea
CID 108887867

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(oxolan-2-yl)urea?
The IUPAC name of 1-(2-aminoethyl)-3-(oxolan-2-yl)urea (CID 117234856) is 1-(2-aminoethyl)-3-(oxolan-2-yl)urea.
What is the SMILES notation for 1-(2-aminoethyl)-3-(oxolan-2-yl)urea?
The canonical SMILES for 1-(2-aminoethyl)-3-(oxolan-2-yl)urea is NCCNC(=O)NC1CCCO1.
What is the InChIKey of 1-(2-aminoethyl)-3-(oxolan-2-yl)urea?
The InChIKey is BJXPTFRCIIQYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c8-3-4-9-7(11)10-6-2-1-5-12-6/h6H,1-5,8H2,(H2,9,10,11).
What are the key properties of 1-(2-aminoethyl)-3-(oxolan-2-yl)urea?
1-(2-aminoethyl)-3-(oxolan-2-yl)urea has a molecular weight of 173.22 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(oxolan-2-yl)urea is sourced from PubChem (CID 117234856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).