N-(pyridin-4-ylmethyl)oxolan-3-amine

C10H14N2O — CID 63331890

IUPACN-(pyridin-4-ylmethyl)oxolan-3-amine
SMILESc1cc(CNC2CCOC2)ccn1
InChIInChI=1S/C10H14N2O/c1-4-11-5-2-9(1)7-12-10-3-6-13-8-10/h1-2,4-5,10,12H,3,6-8H2
InChIKeyCEGXZTVUEXKCIH-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.96
Rot. Bonds3

About N-(pyridin-4-ylmethyl)oxolan-3-amine

N-(pyridin-4-ylmethyl)oxolan-3-amine (PubChem CID 63331890) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)oxolan-3-amine
PubChem CID63331890
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC NameN-(pyridin-4-ylmethyl)oxolan-3-amine
SMILESc1cc(CNC2CCOC2)ccn1
InChIInChI=1S/C10H14N2O/c1-4-11-5-2-9(1)7-12-10-3-6-13-8-10/h1-2,4-5,10,12H,3,6-8H2
InChIKeyCEGXZTVUEXKCIH-UHFFFAOYSA-N
XLogP0.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]oxolan-3-amine
CID 63332037
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
N-(2-pyridin-4-ylethyl)oxan-3-amine
CID 63363456
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
(3S,4R)-4-(pyridin-4-ylmethylamino)oxolan-3-ol
CID 93384643
(1R,5R)-8-methyl-N-(pyridin-4-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 129374539
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
N-(pyrimidin-4-ylmethyl)oxan-3-amine
CID 63360348
[4-(pyridin-4-ylmethylamino)cyclohexyl]methanol
CID 103753143
N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine
CID 130962059
N-(oxolan-3-yl)-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 86780877
N-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
CID 63331563

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)oxolan-3-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)oxolan-3-amine (CID 63331890) is N-(pyridin-4-ylmethyl)oxolan-3-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)oxolan-3-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)oxolan-3-amine is c1cc(CNC2CCOC2)ccn1.
What is the InChIKey of N-(pyridin-4-ylmethyl)oxolan-3-amine?
The InChIKey is CEGXZTVUEXKCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-11-5-2-9(1)7-12-10-3-6-13-8-10/h1-2,4-5,10,12H,3,6-8H2.
What are the key properties of N-(pyridin-4-ylmethyl)oxolan-3-amine?
N-(pyridin-4-ylmethyl)oxolan-3-amine has a molecular weight of 178.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 63331890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).