N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine

C15H24N2O — CID 105034736

IUPACN-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)C1CCCCO1
InChIInChI=1S/C15H24N2O/c1-2-8-17-14(15-7-3-4-10-18-15)11-13-6-5-9-16-12-13/h5-6,9,12,14-15,17H,2-4,7-8,10-11H2,1H3
InChIKeyNRDIEIBVENDPCR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.56
Rot. Bonds6

About N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine

N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine (PubChem CID 105034736) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
PubChem CID105034736
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccnc1)C1CCCCO1
InChIInChI=1S/C15H24N2O/c1-2-8-17-14(15-7-3-4-10-18-15)11-13-6-5-9-16-12-13/h5-6,9,12,14-15,17H,2-4,7-8,10-11H2,1H3
InChIKeyNRDIEIBVENDPCR-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-yl)-2-phenylethyl]propan-1-amine
CID 61065088
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
N-[2-(3,4-dichlorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 115843397
1-(oxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115794372
N-[1-(4-propylcyclohexyl)-2-pyridin-3-ylethyl]propan-1-amine
CID 104736387
N-[2-(5-bromo-2-pyridinyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105036459
N-[2-(3,4-dimethylphenyl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328260
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
N-[2-(2,3-dihydro-1H-inden-5-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328765
N-[2-(2-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 105032641
N-[2-(3-chloro-2-fluorophenyl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 102866337
N-ethyl-1-(5-methyloxolan-2-yl)-2-pyridin-3-ylethanamine
CID 105034589

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine (CID 105034736) is N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1cccnc1)C1CCCCO1.
What is the InChIKey of N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine?
The InChIKey is NRDIEIBVENDPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-8-17-14(15-7-3-4-10-18-15)11-13-6-5-9-16-12-13/h5-6,9,12,14-15,17H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine?
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 105034736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).