N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine

C12H18N2O — CID 43202632

IUPACN-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
SMILESCC(NCC1CCOC1)c1ccccn1
InChIInChI=1S/C12H18N2O/c1-10(12-4-2-3-6-13-12)14-8-11-5-7-15-9-11/h2-4,6,10-11,14H,5,7-9H2,1H3
InChIKeyJDFPXYTZQBSGCA-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.77
Rot. Bonds4

About N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine

N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine (PubChem CID 43202632) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
PubChem CID43202632
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine
SMILESCC(NCC1CCOC1)c1ccccn1
InChIInChI=1S/C12H18N2O/c1-10(12-4-2-3-6-13-12)14-8-11-5-7-15-9-11/h2-4,6,10-11,14H,5,7-9H2,1H3
InChIKeyJDFPXYTZQBSGCA-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-(cyclopropylmethyl)-1-pyridin-2-ylethanamine
CID 21278980
N-(cyclopentylmethyl)-1-pyridin-2-ylethanamine
CID 21279046
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 115776721
1-(oxolan-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]ethanamine
CID 104865520
(1S)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-pyridin-2-ylethanamine
CID 102897622
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 107386677
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
N-[oxolan-3-yl(pyridin-2-yl)methyl]ethanamine
CID 63565313

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine (CID 43202632) is N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine is CC(NCC1CCOC1)c1ccccn1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine?
The InChIKey is JDFPXYTZQBSGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(12-4-2-3-6-13-12)14-8-11-5-7-15-9-11/h2-4,6,10-11,14H,5,7-9H2,1H3.
What are the key properties of N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine?
N-(oxolan-3-ylmethyl)-1-pyridin-2-ylethanamine 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-ylmethyl)-1-pyridin-2-ylethanamine is sourced from PubChem (CID 43202632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).