2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine

C12H18N2O — CID 96923185

IUPAC2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine
SMILESCOc1ncccc1N[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C12H18N2O/c1-9-5-3-6-10(9)14-11-7-4-8-13-12(11)15-2/h4,7-10,14H,3,5-6H2,1-2H3/t9-,10+/m0/s1
InChIKeyVODLIHZXBZIEAL-VHSXEESVSA-N
MW206.29 g/mol
LogP2.69
Rot. Bonds3

About 2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine

2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine (PubChem CID 96923185) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine
PubChem CID96923185
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine
SMILESCOc1ncccc1N[C@@H]1CCC[C@@H]1C
InChIInChI=1S/C12H18N2O/c1-9-5-3-6-10(9)14-11-7-4-8-13-12(11)15-2/h4,7-10,14H,3,5-6H2,1-2H3/t9-,10+/m0/s1
InChIKeyVODLIHZXBZIEAL-VHSXEESVSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine?
The IUPAC name of 2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine (CID 96923185) is 2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine is COc1ncccc1N[C@@H]1CCC[C@@H]1C.
What is the InChIKey of 2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine?
The InChIKey is VODLIHZXBZIEAL-VHSXEESVSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-5-3-6-10(9)14-11-7-4-8-13-12(11)15-2/h4,7-10,14H,3,5-6H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of 2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine?
2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1R,2S)-2-methylcyclopentyl]pyridin-3-amine is sourced from PubChem (CID 96923185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).