N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine

C15H24N2O — CID 114825972

IUPACN-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)C1COC(C)C1
InChIInChI=1S/C15H24N2O/c1-3-6-17-15(14-9-12(2)18-11-14)10-13-4-7-16-8-5-13/h4-5,7-8,12,14-15,17H,3,6,9-11H2,1-2H3
InChIKeyRDBBZUXQTWYUCP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.42
Rot. Bonds6

About N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine

N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine (PubChem CID 114825972) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
PubChem CID114825972
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccncc1)C1COC(C)C1
InChIInChI=1S/C15H24N2O/c1-3-6-17-15(14-9-12(2)18-11-14)10-13-4-7-16-8-5-13/h4-5,7-8,12,14-15,17H,3,6,9-11H2,1-2H3
InChIKeyRDBBZUXQTWYUCP-UHFFFAOYSA-N
XLogP2.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825858
N-[1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethyl]propan-1-amine
CID 114825861
N-[1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114825893
N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874
4-[2-chloro-2-(5-methyloxolan-3-yl)ethyl]pyridine
CID 114823994
N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 103052831
N-ethyl-2-(4-iodophenyl)-1-(5-methyloxolan-3-yl)ethanamine
CID 115864436
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104989907
1-(5-methyloxolan-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030028
N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 105013507
N-[2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104996890
N-ethyl-1-(5-methyloxolan-3-yl)-2-(4-nitrophenyl)ethanamine
CID 114825860

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine (CID 114825972) is N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine is CCCNC(Cc1ccncc1)C1COC(C)C1.
What is the InChIKey of N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
The InChIKey is RDBBZUXQTWYUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-6-17-15(14-9-12(2)18-11-14)10-13-4-7-16-8-5-13/h4-5,7-8,12,14-15,17H,3,6,9-11H2,1-2H3.
What are the key properties of N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine?
N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine is sourced from PubChem (CID 114825972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).