3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

C13H20N2O — CID 65164038

IUPAC3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESc1ccc(CNCCCC2CCCO2)nc1
InChIInChI=1S/C13H20N2O/c1-2-9-15-12(5-1)11-14-8-3-6-13-7-4-10-16-13/h1-2,5,9,13-14H,3-4,6-8,10-11H2
InChIKeyGULQQOFFGNSGGD-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.13
Rot. Bonds6

About 3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 65164038) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID65164038
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESc1ccc(CNCCCC2CCCO2)nc1
InChIInChI=1S/C13H20N2O/c1-2-9-15-12(5-1)11-14-8-3-6-13-7-4-10-16-13/h1-2,5,9,13-14H,3-4,6-8,10-11H2
InChIKeyGULQQOFFGNSGGD-UHFFFAOYSA-N
XLogP2.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.13
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-[(6-methyl-2-pyridinyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163956
4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine
CID 114190984
3-(oxolan-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 65163837
N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99715154
2-benzyl-1-[2-(oxolan-2-yl)ethyl]-3-(pyridin-2-ylmethyl)guanidine
CID 75532700
N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62747716
N-[(2-nitrophenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163634
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60960687
2-[3-(oxolan-2-yl)propylamino]-1-phenylethanol
CID 65164044

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (CID 65164038) is 3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is c1ccc(CNCCCC2CCCO2)nc1.
What is the InChIKey of 3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is GULQQOFFGNSGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-9-15-12(5-1)11-14-8-3-6-13-7-4-10-16-13/h1-2,5,9,13-14H,3-4,6-8,10-11H2.
What are the key properties of 3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 65164038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).