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

C13H24N2O — CID 106315106

IUPACN-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
SMILESCCNC1COCC1CN1CCC=C(C)C1
InChIInChI=1S/C13H24N2O/c1-3-14-13-10-16-9-12(13)8-15-6-4-5-11(2)7-15/h5,12-14H,3-4,6-10H2,1-2H3
InChIKeyJRZLMZJFFOHHGC-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.26
Rot. Bonds4

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

N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine (PubChem CID 106315106) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
PubChem CID106315106
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine
SMILESCCNC1COCC1CN1CCC=C(C)C1
InChIInChI=1S/C13H24N2O/c1-3-14-13-10-16-9-12(13)8-15-6-4-5-11(2)7-15/h5,12-14H,3-4,6-10H2,1-2H3
InChIKeyJRZLMZJFFOHHGC-UHFFFAOYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.26
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
N-methyl-1-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]propan-2-amine
CID 154992836
4-[[Ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
CID 66237522
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-methyloxolan-3-amine
CID 66246557
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N-propyloxolan-3-amine
CID 66255810
4-[[bis(prop-2-enyl)amino]methyl]-N-propyloxolan-3-amine
CID 66256569
4-[[bis(prop-2-enyl)amino]methyl]-N-ethyloxolan-3-amine
CID 66257577
N-ethyl-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]oxolan-3-amine
CID 66259902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The IUPAC name of N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine (CID 106315106) is N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine is CCNC1COCC1CN1CCC=C(C)C1.
What is the InChIKey of N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
The InChIKey is JRZLMZJFFOHHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-3-14-13-10-16-9-12(13)8-15-6-4-5-11(2)7-15/h5,12-14H,3-4,6-10H2,1-2H3.
What are the key properties of N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine?
N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine has a molecular weight of 224.35 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 106315106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).