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

C12H22N2O — CID 106314981

IUPAC4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
SMILESCC1=CCCN(CC2(C)COCC2N)C1
InChIInChI=1S/C12H22N2O/c1-10-4-3-5-14(6-10)8-12(2)9-15-7-11(12)13/h4,11H,3,5-9,13H2,1-2H3
InChIKeyNLTJPZPHIRUSQU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.00
Rot. Bonds2

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

4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine (PubChem CID 106314981) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
PubChem CID106314981
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
SMILESCC1=CCCN(CC2(C)COCC2N)C1
InChIInChI=1S/C12H22N2O/c1-10-4-3-5-14(6-10)8-12(2)9-15-7-11(12)13/h4,11H,3,5-9,13H2,1-2H3
InChIKeyNLTJPZPHIRUSQU-UHFFFAOYSA-N
XLogP1.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 113591686
N-propyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490092
N-methyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490158
4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490202
N-ethyl-4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxolan-3-amine
CID 114490231
4-[[Bis(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine
CID 66262644
4-[[Ethyl(2-methylprop-2-enyl)amino]methyl]-4-methyloxolan-3-amine
CID 66264489
4-Methyl-4-[[methyl(prop-2-enyl)amino]methyl]oxolan-3-amine
CID 81811322
4-[[Ethyl(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine
CID 81811564
4-Methyl-4-[[prop-2-enyl(propyl)amino]methyl]oxolan-3-amine
CID 81811877
4-Methyl-4-[[propan-2-yl(prop-2-enyl)amino]methyl]oxolan-3-amine
CID 81812173
4-[[Tert-butyl(prop-2-enyl)amino]methyl]-4-methyloxolan-3-amine
CID 81813036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The IUPAC name of 4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine (CID 106314981) is 4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for 4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for 4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine is CC1=CCCN(CC2(C)COCC2N)C1.
What is the InChIKey of 4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The InChIKey is NLTJPZPHIRUSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-4-3-5-14(6-10)8-12(2)9-15-7-11(12)13/h4,11H,3,5-9,13H2,1-2H3.
What are the key properties of 4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 106314981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).