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

C12H18N2O — CID 81404067

IUPAC(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
SMILESC[C@H](NCC1CCCO1)c1cccnc1
InChIInChI=1S/C12H18N2O/c1-10(11-4-2-6-13-8-11)14-9-12-5-3-7-15-12/h2,4,6,8,10,12,14H,3,5,7,9H2,1H3/t10-,12?/m0/s1
InChIKeyDXTMTYJLEBWBAI-NUHJPDEHSA-N
MW206.29 g/mol
LogP1.91
Rot. Bonds4

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

(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine (PubChem CID 81404067) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
PubChem CID81404067
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine
SMILESC[C@H](NCC1CCCO1)c1cccnc1
InChIInChI=1S/C12H18N2O/c1-10(11-4-2-6-13-8-11)14-9-12-5-3-7-15-12/h2,4,6,8,10,12,14H,3,5,7,9H2,1H3/t10-,12?/m0/s1
InChIKeyDXTMTYJLEBWBAI-NUHJPDEHSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 43403760
2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetonitrile
CID 61005449
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
CID 54890054
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 102848150
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62064372
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
(1R)-N-[(3-methylcyclohexyl)methyl]-1-pyridin-3-ylethanamine
CID 81404492
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-pyridin-3-ylethanamine
CID 43204657
1-(3-bromophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54949073
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258
(1R)-N-(oxolan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81408382
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine (CID 81404067) is (1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine is C[C@H](NCC1CCCO1)c1cccnc1.
What is the InChIKey of (1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine?
The InChIKey is DXTMTYJLEBWBAI-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(11-4-2-6-13-8-11)14-9-12-5-3-7-15-12/h2,4,6,8,10,12,14H,3,5,7,9H2,1H3/t10-,12?/m0/s1.
What are the key properties of (1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine?
(1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(oxolan-2-ylmethyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81404067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).