1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine

C13H22N2 — CID 59374967

IUPAC1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine
SMILESNC12CC3CC1CC(N1CCCC1)(C3)C2
InChIInChI=1S/C13H22N2/c14-13-7-10-5-11(13)8-12(6-10,9-13)15-3-1-2-4-15/h10-11H,1-9,14H2
InChIKeyXFUDTZIZTSACTF-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.74
Rot. Bonds1

About 1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine

1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine (PubChem CID 59374967) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine.

Molecular Properties

Compound Name1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine
PubChem CID59374967
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine
SMILESNC12CC3CC1CC(N1CCCC1)(C3)C2
InChIInChI=1S/C13H22N2/c14-13-7-10-5-11(13)8-12(6-10,9-13)15-3-1-2-4-15/h10-11H,1-9,14H2
InChIKeyXFUDTZIZTSACTF-UHFFFAOYSA-N
XLogP1.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine?
The IUPAC name of 1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine (CID 59374967) is 1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine.
What is the SMILES notation for 1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine?
The canonical SMILES for 1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine is NC12CC3CC1CC(N1CCCC1)(C3)C2.
What is the InChIKey of 1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine?
The InChIKey is XFUDTZIZTSACTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c14-13-7-10-5-11(13)8-12(6-10,9-13)15-3-1-2-4-15/h10-11H,1-9,14H2.
What are the key properties of 1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine?
1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine has a molecular weight of 206.33 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yltricyclo[3.3.1.03,7]nonan-3-amine is sourced from PubChem (CID 59374967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).