2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine

C12H24N2O — CID 63177370

IUPAC2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCCC(OCCC)C1
InChIInChI=1S/C12H24N2O/c1-4-8-15-11-6-5-7-14(9-11)12(13)10(2)3/h10-11,13H,4-9H2,1-3H3/b13-12+
InChIKeyTVSKTRLSDCPRAX-OUKQBFOZSA-N
MW212.34 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine

2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine (PubChem CID 63177370) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine
PubChem CID63177370
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCCC(OCCC)C1
InChIInChI=1S/C12H24N2O/c1-4-8-15-11-6-5-7-14(9-11)12(13)10(2)3/h10-11,13H,4-9H2,1-3H3/b13-12+
InChIKeyTVSKTRLSDCPRAX-OUKQBFOZSA-N
XLogP2.51
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine?
The IUPAC name of 2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine (CID 63177370) is 2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine.
What is the SMILES notation for 2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine?
The canonical SMILES for 2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine is [H]/N=C(\C(C)C)N1CCCC(OCCC)C1.
What is the InChIKey of 2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine?
The InChIKey is TVSKTRLSDCPRAX-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-8-15-11-6-5-7-14(9-11)12(13)10(2)3/h10-11,13H,4-9H2,1-3H3/b13-12+.
What are the key properties of 2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine?
2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine has a molecular weight of 212.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propoxypiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 63177370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).