(1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine

C11H16N2 — CID 55291646

IUPAC(1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc([C@H](N)CC2CC2)nc1
InChIInChI=1S/C11H16N2/c1-8-2-5-11(13-7-8)10(12)6-9-3-4-9/h2,5,7,9-10H,3-4,6,12H2,1H3/t10-/m1/s1
InChIKeyPEDHKAGIYRIFSF-SNVBAGLBSA-N
MW176.26 g/mol
LogP2.19
Rot. Bonds3

About (1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine

(1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 55291646) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine
PubChem CID55291646
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine
SMILESCc1ccc([C@H](N)CC2CC2)nc1
InChIInChI=1S/C11H16N2/c1-8-2-5-11(13-7-8)10(12)6-9-3-4-9/h2,5,7,9-10H,3-4,6,12H2,1H3/t10-/m1/s1
InChIKeyPEDHKAGIYRIFSF-SNVBAGLBSA-N
XLogP2.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of (1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine (CID 55291646) is (1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for (1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for (1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine is Cc1ccc([C@H](N)CC2CC2)nc1.
What is the InChIKey of (1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is PEDHKAGIYRIFSF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2/c1-8-2-5-11(13-7-8)10(12)6-9-3-4-9/h2,5,7,9-10H,3-4,6,12H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine?
(1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 176.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 55291646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).