2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine

C12H22N2 — CID 70429779

IUPAC2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine
SMILESNC(C1CCCN1)C1CC2CCC1C2
InChIInChI=1S/C12H22N2/c13-12(11-2-1-5-14-11)10-7-8-3-4-9(10)6-8/h8-12,14H,1-7,13H2
InChIKeyPKVKOPJNOSEWDG-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.50
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine

2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine (PubChem CID 70429779) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine
PubChem CID70429779
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine
SMILESNC(C1CCCN1)C1CC2CCC1C2
InChIInChI=1S/C12H22N2/c13-12(11-2-1-5-14-11)10-7-8-3-4-9(10)6-8/h8-12,14H,1-7,13H2
InChIKeyPKVKOPJNOSEWDG-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine (CID 70429779) is 2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine is NC(C1CCCN1)C1CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine?
The InChIKey is PKVKOPJNOSEWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-12(11-2-1-5-14-11)10-7-8-3-4-9(10)6-8/h8-12,14H,1-7,13H2.
What are the key properties of 2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine?
2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine has a molecular weight of 194.32 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl(pyrrolidin-2-yl)methanamine is sourced from PubChem (CID 70429779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).