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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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106297417
1-cyclobutyl-3-(1-ethylcyclobutyl)urea
CID 115673198
N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide
CID 106297142
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699
cis-(1R,3S)-3-[[4-[(4-fluorophenyl)methyl]oxan-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 155957159
4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride
CID 120929053
N-[4-(aminomethyl)oxan-4-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106297355
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
N-[4-(aminomethyl)oxan-4-yl]-3-methoxy-3-methylbutanamide
CID 106297328
3-(aminomethyl)-N-cyclohexyloxolan-3-amine
CID 65385376

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).