N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine

C12H18N2O — CID 63565313

IUPACN-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccn1)C1CCOC1
InChIInChI=1S/C12H18N2O/c1-2-13-12(10-6-8-15-9-10)11-5-3-4-7-14-11/h3-5,7,10,12-13H,2,6,8-9H2,1H3
InChIKeyVXCGXFCPHOJQRH-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.77
Rot. Bonds4

About N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine

N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine (PubChem CID 63565313) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
PubChem CID63565313
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccccn1)C1CCOC1
InChIInChI=1S/C12H18N2O/c1-2-13-12(10-6-8-15-9-10)11-5-3-4-7-14-11/h3-5,7,10,12-13H,2,6,8-9H2,1H3
InChIKeyVXCGXFCPHOJQRH-UHFFFAOYSA-N
XLogP1.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
CID 63565130
N-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(pyridin-2-yl)methyl]ethanamine
CID 79907507
N-[(2-methylpyrimidin-4-yl)-(oxolan-3-yl)methyl]ethanamine
CID 115530813
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104865520
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
N-[(2-cyclobutylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 114603367
2-[1-(oxan-4-yl)propyl]pyridine
CID 135227952
1-(oxolan-3-yl)-2-pyridin-2-ylpropan-1-amine
CID 66446614
2-[1-chloro-1-(oxolan-3-yl)propan-2-yl]pyridine
CID 66460210
N-[(2,3-difluorophenyl)-(oxolan-3-yl)methyl]ethanamine
CID 65330309
2-[1-(oxan-4-yl)ethyl]pyridine
CID 171432124

Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine?
The IUPAC name of N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine (CID 63565313) is N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine is CCNC(c1ccccn1)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine?
The InChIKey is VXCGXFCPHOJQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-13-12(10-6-8-15-9-10)11-5-3-4-7-14-11/h3-5,7,10,12-13H,2,6,8-9H2,1H3.
What are the key properties of N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine?
N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.77, 4 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-2-yl)methyl]ethanamine is sourced from PubChem (CID 63565313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).