(2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine

C10H20N2 — CID 122669524

IUPAC(2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine
SMILESC[C@@H](N)CN1C[C@@H]2CC[C@@H](C2)C1
InChIInChI=1S/C10H20N2/c1-8(11)5-12-6-9-2-3-10(4-9)7-12/h8-10H,2-7,11H2,1H3/t8-,9-,10+/m1/s1
InChIKeyKMGYDHAPTYTWRZ-BBBLOLIVSA-N
MW168.28 g/mol
LogP1.07
Rot. Bonds2

About (2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine

(2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine (PubChem CID 122669524) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine
PubChem CID122669524
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine
SMILESC[C@@H](N)CN1C[C@@H]2CC[C@@H](C2)C1
InChIInChI=1S/C10H20N2/c1-8(11)5-12-6-9-2-3-10(4-9)7-12/h8-10H,2-7,11H2,1H3/t8-,9-,10+/m1/s1
InChIKeyKMGYDHAPTYTWRZ-BBBLOLIVSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine?
The IUPAC name of (2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine (CID 122669524) is (2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine.
What is the SMILES notation for (2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine?
The canonical SMILES for (2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine is C[C@@H](N)CN1C[C@@H]2CC[C@@H](C2)C1.
What is the InChIKey of (2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine?
The InChIKey is KMGYDHAPTYTWRZ-BBBLOLIVSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(11)5-12-6-9-2-3-10(4-9)7-12/h8-10H,2-7,11H2,1H3/t8-,9-,10+/m1/s1.
What are the key properties of (2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine?
(2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine has a molecular weight of 168.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine is sourced from PubChem (CID 122669524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).