(1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine

C12H24N2O — CID 146535821

IUPAC(1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
SMILESCO[C@@H](C)[C@@H](N)C1=CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)14-7-5-11(6-8-14)12(13)10(3)15-4/h5,9-10,12H,6-8,13H2,1-4H3/t10-,12+/m0/s1
InChIKeyDMNJXNYQANYLQG-CMPLNLGQSA-N
MW212.34 g/mol
LogP1.39
Rot. Bonds4

About (1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine

(1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine (PubChem CID 146535821) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
PubChem CID146535821
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine
SMILESCO[C@@H](C)[C@@H](N)C1=CCN(C(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)14-7-5-11(6-8-14)12(13)10(3)15-4/h5,9-10,12H,6-8,13H2,1-4H3/t10-,12+/m0/s1
InChIKeyDMNJXNYQANYLQG-CMPLNLGQSA-N
XLogP1.39
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine?
The IUPAC name of (1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine (CID 146535821) is (1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine.
What is the SMILES notation for (1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine?
The canonical SMILES for (1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine is CO[C@@H](C)[C@@H](N)C1=CCN(C(C)C)CC1.
What is the InChIKey of (1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine?
The InChIKey is DMNJXNYQANYLQG-CMPLNLGQSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)14-7-5-11(6-8-14)12(13)10(3)15-4/h5,9-10,12H,6-8,13H2,1-4H3/t10-,12+/m0/s1.
What are the key properties of (1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine?
(1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine has a molecular weight of 212.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-methoxy-1-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-1-amine is sourced from PubChem (CID 146535821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).