(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine

C11H18N2O — CID 81404326

IUPAC(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine
SMILESCCOCCN[C@@H](C)c1cccnc1
InChIInChI=1S/C11H18N2O/c1-3-14-8-7-13-10(2)11-5-4-6-12-9-11/h4-6,9-10,13H,3,7-8H2,1-2H3/t10-/m0/s1
InChIKeyQUYOBOBSUUXVNS-JTQLQIEISA-N
MW194.28 g/mol
LogP1.77
Rot. Bonds6

About (1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine

(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine (PubChem CID 81404326) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine
PubChem CID81404326
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine
SMILESCCOCCN[C@@H](C)c1cccnc1
InChIInChI=1S/C11H18N2O/c1-3-14-8-7-13-10(2)11-5-4-6-12-9-11/h4-6,9-10,13H,3,7-8H2,1-2H3/t10-/m0/s1
InChIKeyQUYOBOBSUUXVNS-JTQLQIEISA-N
XLogP1.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.77
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-(2-butoxyethyl)-1-pyridin-3-ylethanamine
CID 61171825
(1S)-N-(2-phenoxyethyl)-1-pyridin-3-ylethanamine
CID 81404248
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
2-methylidene-N-(1-pyridin-3-ylethyl)butan-1-amine
CID 66047112
ethyl 2-[[(1S)-1-pyridin-3-ylethyl]amino]acetate
CID 81405022
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine
CID 43403695
1-[3-(difluoromethoxy)phenyl]-N-(2-ethoxyethyl)ethanamine
CID 43590715
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine?
The IUPAC name of (1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine (CID 81404326) is (1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine.
What is the SMILES notation for (1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine?
The canonical SMILES for (1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine is CCOCCN[C@@H](C)c1cccnc1.
What is the InChIKey of (1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine?
The InChIKey is QUYOBOBSUUXVNS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-14-8-7-13-10(2)11-5-4-6-12-9-11/h4-6,9-10,13H,3,7-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine?
(1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2-ethoxyethyl)-1-pyridin-3-ylethanamine is sourced from PubChem (CID 81404326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).