1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine

C13H22N2O — CID 80715147

IUPAC1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine
SMILESC1CN(C2CC2)CC1NC1CC2CCC1O2
InChIInChI=1S/C13H22N2O/c1-2-10(1)15-6-5-9(8-15)14-12-7-11-3-4-13(12)16-11/h9-14H,1-8H2
InChIKeyHICOSOKLGBRFMH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.13
Rot. Bonds3

About 1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine

1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine (PubChem CID 80715147) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine
PubChem CID80715147
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine
SMILESC1CN(C2CC2)CC1NC1CC2CCC1O2
InChIInChI=1S/C13H22N2O/c1-2-10(1)15-6-5-9(8-15)14-12-7-11-3-4-13(12)16-11/h9-14H,1-8H2
InChIKeyHICOSOKLGBRFMH-UHFFFAOYSA-N
XLogP1.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine (CID 80715147) is 1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine is C1CN(C2CC2)CC1NC1CC2CCC1O2.
What is the InChIKey of 1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine?
The InChIKey is HICOSOKLGBRFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-10(1)15-6-5-9(8-15)14-12-7-11-3-4-13(12)16-11/h9-14H,1-8H2.
What are the key properties of 1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine?
1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine has a molecular weight of 222.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 80715147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).