3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine

C11H22N2O — CID 63335549

IUPAC3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine
SMILESCCCN(C1CC1)C1(CN)CCOC1
InChIInChI=1S/C11H22N2O/c1-2-6-13(10-3-4-10)11(8-12)5-7-14-9-11/h10H,2-9,12H2,1H3
InChIKeyFSACSTWRDBAIDC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.98
Rot. Bonds5

About 3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine

3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine (PubChem CID 63335549) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine
PubChem CID63335549
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine
SMILESCCCN(C1CC1)C1(CN)CCOC1
InChIInChI=1S/C11H22N2O/c1-2-6-13(10-3-4-10)11(8-12)5-7-14-9-11/h10H,2-9,12H2,1H3
InChIKeyFSACSTWRDBAIDC-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine (CID 63335549) is 3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine is CCCN(C1CC1)C1(CN)CCOC1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine?
The InChIKey is FSACSTWRDBAIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-6-13(10-3-4-10)11(8-12)5-7-14-9-11/h10H,2-9,12H2,1H3.
What are the key properties of 3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine?
3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine has a molecular weight of 198.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine is sourced from PubChem (CID 63335549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).