(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine

C13H21N3 — CID 83123042

IUPAC(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C13H21N3/c1-11(14)13-7-6-12(10-15-13)16-8-4-2-3-5-9-16/h6-7,10-11H,2-5,8-9,14H2,1H3/t11-/m1/s1
InChIKeyHFJAXBOOTFIFJE-LLVKDONJSA-N
MW219.33 g/mol
LogP2.48
Rot. Bonds2

About (1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine

(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine (PubChem CID 83123042) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
PubChem CID83123042
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(N2CCCCCC2)cn1
InChIInChI=1S/C13H21N3/c1-11(14)13-7-6-12(10-15-13)16-8-4-2-3-5-9-16/h6-7,10-11H,2-5,8-9,14H2,1H3/t11-/m1/s1
InChIKeyHFJAXBOOTFIFJE-LLVKDONJSA-N
XLogP2.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine (CID 83123042) is (1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine is C[C@@H](N)c1ccc(N2CCCCCC2)cn1.
What is the InChIKey of (1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine?
The InChIKey is HFJAXBOOTFIFJE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3/c1-11(14)13-7-6-12(10-15-13)16-8-4-2-3-5-9-16/h6-7,10-11H,2-5,8-9,14H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine?
(1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(azepan-1-yl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).