(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine

C12H18N2O — CID 67289682

IUPAC(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCC2(C)CC2)cn1
InChIInChI=1S/C12H18N2O/c1-9(13)11-4-3-10(7-14-11)15-8-12(2)5-6-12/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m1/s1
InChIKeyUVDCDJRILFWVCF-SECBINFHSA-N
MW206.29 g/mol
LogP2.28
Rot. Bonds4

About (1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine

(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine (PubChem CID 67289682) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine
PubChem CID67289682
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine
SMILESC[C@@H](N)c1ccc(OCC2(C)CC2)cn1
InChIInChI=1S/C12H18N2O/c1-9(13)11-4-3-10(7-14-11)15-8-12(2)5-6-12/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m1/s1
InChIKeyUVDCDJRILFWVCF-SECBINFHSA-N
XLogP2.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine (CID 67289682) is (1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine is C[C@@H](N)c1ccc(OCC2(C)CC2)cn1.
What is the InChIKey of (1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine?
The InChIKey is UVDCDJRILFWVCF-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(13)11-4-3-10(7-14-11)15-8-12(2)5-6-12/h3-4,7,9H,5-6,8,13H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine?
(1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine has a molecular weight of 206.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-[(1-methylcyclopropyl)methoxy]-2-pyridinyl]ethanamine is sourced from PubChem (CID 67289682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).