N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine

C13H20N2O — CID 63565500

IUPACN-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1CCOC1
InChIInChI=1S/C13H20N2O/c1-2-6-15-13(12-5-8-16-10-12)11-4-3-7-14-9-11/h3-4,7,9,12-13,15H,2,5-6,8,10H2,1H3
InChIKeyICJMQSFBKRZVBX-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.16
Rot. Bonds5

About N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine

N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine (PubChem CID 63565500) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
PubChem CID63565500
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccnc1)C1CCOC1
InChIInChI=1S/C13H20N2O/c1-2-6-15-13(12-5-8-16-10-12)11-4-3-7-14-9-11/h3-4,7,9,12-13,15H,2,5-6,8,10H2,1H3
InChIKeyICJMQSFBKRZVBX-UHFFFAOYSA-N
XLogP2.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylcyclopentyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65413186
N-[(4-propylcyclohexyl)-pyridin-3-ylmethyl]propan-1-amine
CID 65425134
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-[oxan-4-yl(pyridazin-4-yl)methyl]propan-1-amine
CID 105147199
N-[oxolan-3-yl(quinolin-3-yl)methyl]propan-1-amine
CID 65330638
N-[(1-ethylpyrazol-4-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330533
N-[(3-cyclobutylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 114603372
N-[cyclopropyl(pyridin-3-yl)methyl]ethanamine
CID 60923514
N-[(2,3-dichlorophenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330313
N-[(2-ethylpyrazol-3-yl)-(oxolan-3-yl)methyl]propan-1-amine
CID 65330423
N-[pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methyl]propan-1-amine
CID 105098515
N-[oxolan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105147610

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine (CID 63565500) is N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine is CCCNC(c1cccnc1)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine?
The InChIKey is ICJMQSFBKRZVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-6-15-13(12-5-8-16-10-12)11-4-3-7-14-9-11/h3-4,7,9,12-13,15H,2,5-6,8,10H2,1H3.
What are the key properties of N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine?
N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl(pyridin-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63565500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).