2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine

C8H16N2 — CID 94247679

IUPAC2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
SMILESNCCN1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H16N2/c9-3-4-10-6-7-1-2-8(10)5-7/h7-8H,1-6,9H2/t7-,8+/m0/s1
InChIKeyCLPVUDZYVCDMBZ-JGVFFNPUSA-N
MW140.23 g/mol
LogP0.43
Rot. Bonds2

About 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine

2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine (PubChem CID 94247679) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
PubChem CID94247679
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
SMILESNCCN1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C8H16N2/c9-3-4-10-6-7-1-2-8(10)5-7/h7-8H,1-6,9H2/t7-,8+/m0/s1
InChIKeyCLPVUDZYVCDMBZ-JGVFFNPUSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine?
The IUPAC name of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine (CID 94247679) is 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine.
What is the SMILES notation for 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine?
The canonical SMILES for 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine is NCCN1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine?
The InChIKey is CLPVUDZYVCDMBZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16N2/c9-3-4-10-6-7-1-2-8(10)5-7/h7-8H,1-6,9H2/t7-,8+/m0/s1.
What are the key properties of 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine?
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine has a molecular weight of 140.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine is sourced from PubChem (CID 94247679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).