[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine

C12H22N2O — CID 114410743

IUPAC[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCC1=CCN(CC2CCC(CN)O2)CC1
InChIInChI=1S/C12H22N2O/c1-10-4-6-14(7-5-10)9-12-3-2-11(8-13)15-12/h4,11-12H,2-3,5-9,13H2,1H3
InChIKeyZJSFBIVKAJRBAU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.14
Rot. Bonds3

About [5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine

[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine (PubChem CID 114410743) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine
PubChem CID114410743
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine
SMILESCC1=CCN(CC2CCC(CN)O2)CC1
InChIInChI=1S/C12H22N2O/c1-10-4-6-14(7-5-10)9-12-3-2-11(8-13)15-12/h4,11-12H,2-3,5-9,13H2,1H3
InChIKeyZJSFBIVKAJRBAU-UHFFFAOYSA-N
XLogP1.14
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.14
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 [5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine (CID 114410743) is [5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine is CC1=CCN(CC2CCC(CN)O2)CC1.
What is the InChIKey of [5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
The InChIKey is ZJSFBIVKAJRBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-4-6-14(7-5-10)9-12-3-2-11(8-13)15-12/h4,11-12H,2-3,5-9,13H2,1H3.
What are the key properties of [5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine?
[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine has a molecular weight of 210.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 114410743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).