N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine

C14H22N2O — CID 116521121

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCC1(C)CCC(CNCCc2ccccn2)O1
InChIInChI=1S/C14H22N2O/c1-14(2)8-6-13(17-14)11-15-10-7-12-5-3-4-9-16-12/h3-5,9,13,15H,6-8,10-11H2,1-2H3
InChIKeyXSMGNMKXHVBUEW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.17
Rot. Bonds5

About N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 116521121) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine
PubChem CID116521121
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine
SMILESCC1(C)CCC(CNCCc2ccccn2)O1
InChIInChI=1S/C14H22N2O/c1-14(2)8-6-13(17-14)11-15-10-7-12-5-3-4-9-16-12/h3-5,9,13,15H,6-8,10-11H2,1-2H3
InChIKeyXSMGNMKXHVBUEW-UHFFFAOYSA-N
XLogP2.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5,5-dimethyloxolan-2-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 116521558
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-pyridin-2-ylethanamine
CID 79083153
1-(5,5-dimethyloxolan-2-yl)-N-(naphthalen-1-ylmethyl)methanamine
CID 116521405
N-[(1,1-dioxothiolan-3-yl)methyl]-2-pyridin-2-ylethanamine
CID 54914636
1-(5,5-dimethyloxolan-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 116521177
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 63898763
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-pyridin-2-ylethanamine
CID 103276011
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine
CID 115245931
2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 102671285
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 167949484
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methyl-4-phenylbutan-2-amine
CID 116521687

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine (CID 116521121) is N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine is CC1(C)CCC(CNCCc2ccccn2)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is XSMGNMKXHVBUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2)8-6-13(17-14)11-15-10-7-12-5-3-4-9-16-12/h3-5,9,13,15H,6-8,10-11H2,1-2H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 116521121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).