1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea

C11H21N3O2 — CID 106297624

IUPAC1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea
SMILESNCC1(NC(=O)NC2CCC2)CCOCC1
InChIInChI=1S/C11H21N3O2/c12-8-11(4-6-16-7-5-11)14-10(15)13-9-2-1-3-9/h9H,1-8,12H2,(H2,13,14,15)
InChIKeyLBEXFZMANAQMRW-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.35
Rot. Bonds3

About 1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea

1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea (PubChem CID 106297624) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea
PubChem CID106297624
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea
SMILESNCC1(NC(=O)NC2CCC2)CCOCC1
InChIInChI=1S/C11H21N3O2/c12-8-11(4-6-16-7-5-11)14-10(15)13-9-2-1-3-9/h9H,1-8,12H2,(H2,13,14,15)
InChIKeyLBEXFZMANAQMRW-UHFFFAOYSA-N
XLogP0.35
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea?
The IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea (CID 106297624) is 1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea.
What is the SMILES notation for 1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea?
The canonical SMILES for 1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea is NCC1(NC(=O)NC2CCC2)CCOCC1.
What is the InChIKey of 1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea?
The InChIKey is LBEXFZMANAQMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c12-8-11(4-6-16-7-5-11)14-10(15)13-9-2-1-3-9/h9H,1-8,12H2,(H2,13,14,15).
What are the key properties of 1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea?
1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea has a molecular weight of 227.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxan-4-yl]-3-cyclobutylurea is sourced from PubChem (CID 106297624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).