4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine

C11H22N2O — CID 66258957

IUPAC4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CNC1CCC1
InChIInChI=1S/C11H22N2O/c1-2-12-11-8-14-7-9(11)6-13-10-4-3-5-10/h9-13H,2-8H2,1H3
InChIKeyKVRHGCFKJZZPJV-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.75
Rot. Bonds5

About 4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine

4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine (PubChem CID 66258957) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine
PubChem CID66258957
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CNC1CCC1
InChIInChI=1S/C11H22N2O/c1-2-12-11-8-14-7-9(11)6-13-10-4-3-5-10/h9-13H,2-8H2,1H3
InChIKeyKVRHGCFKJZZPJV-UHFFFAOYSA-N
XLogP0.75
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine?
The IUPAC name of 4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine (CID 66258957) is 4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine?
The canonical SMILES for 4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine is CCNC1COCC1CNC1CCC1.
What is the InChIKey of 4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine?
The InChIKey is KVRHGCFKJZZPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-12-11-8-14-7-9(11)6-13-10-4-3-5-10/h9-13H,2-8H2,1H3.
What are the key properties of 4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine?
4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclobutylamino)methyl]-N-ethyloxolan-3-amine is sourced from PubChem (CID 66258957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).