4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine

C11H22N2O — CID 66235298

IUPAC4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine
SMILESCCCN(CC1COCC1N)C1CC1
InChIInChI=1S/C11H22N2O/c1-2-5-13(10-3-4-10)6-9-7-14-8-11(9)12/h9-11H,2-8,12H2,1H3
InChIKeyGFDDTOZUPJOICR-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.83
Rot. Bonds5

About 4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine

4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine (PubChem CID 66235298) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine
PubChem CID66235298
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine
SMILESCCCN(CC1COCC1N)C1CC1
InChIInChI=1S/C11H22N2O/c1-2-5-13(10-3-4-10)6-9-7-14-8-11(9)12/h9-11H,2-8,12H2,1H3
InChIKeyGFDDTOZUPJOICR-UHFFFAOYSA-N
XLogP0.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine (CID 66235298) is 4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine is CCCN(CC1COCC1N)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine?
The InChIKey is GFDDTOZUPJOICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-5-13(10-3-4-10)6-9-7-14-8-11(9)12/h9-11H,2-8,12H2,1H3.
What are the key properties of 4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine?
4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(propyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66235298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).