2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine

C10H20N2O — CID 82364103

IUPAC2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine
SMILESCC1=CCN(CCOCCN)CC1
InChIInChI=1S/C10H20N2O/c1-10-2-5-12(6-3-10)7-9-13-8-4-11/h2H,3-9,11H2,1H3
InChIKeyPONCWFJNPHMLMV-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.61
Rot. Bonds5

About 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine

2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine (PubChem CID 82364103) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine
PubChem CID82364103
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine
SMILESCC1=CCN(CCOCCN)CC1
InChIInChI=1S/C10H20N2O/c1-10-2-5-12(6-3-10)7-9-13-8-4-11/h2H,3-9,11H2,1H3
InChIKeyPONCWFJNPHMLMV-UHFFFAOYSA-N
XLogP0.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 106115050
2-ethoxy-4-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 113591606
2-ethoxy-3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 114489675
2-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethoxy]ethanamine
CID 114490204
N-(2-methoxyethyl)-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114490234
4-[(Z)-2-ethylbut-2-enyl]morpholine
CID 22628676
4-[(E)-2-ethylbut-2-enyl]morpholine
CID 70167795
4-(2-Ethylbut-2-enyl)morpholine
CID 70167796
1-(2-methoxyethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 89286486
(2Z,4Z)-4-(2-morpholin-4-ylethyl)hexa-2,4-dien-1-amine
CID 89940285
4-[2-(1,2,3,6-Tetrahydropyridin-4-yl)ethyl]morpholine
CID 107489754
4-[(2E)-2-pyrrolidin-3-ylideneethyl]morpholine
CID 115016235

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine (CID 82364103) is 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine is CC1=CCN(CCOCCN)CC1.
What is the InChIKey of 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine?
The InChIKey is PONCWFJNPHMLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10-2-5-12(6-3-10)7-9-13-8-4-11/h2H,3-9,11H2,1H3.
What are the key properties of 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine?
2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine has a molecular weight of 184.28 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 82364103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).