2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane

C10H22N2 — CID 144912225

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane
SMILESCC.CNCCN1CC=CCC1
InChIInChI=1S/C8H16N2.C2H6/c1-9-5-8-10-6-3-2-4-7-10;1-2/h2-3,9H,4-8H2,1H3;1-2H3
InChIKeyGHDMPDZGZNSJTA-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.49
Rot. Bonds3

About 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane

2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane (PubChem CID 144912225) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane
PubChem CID144912225
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane
SMILESCC.CNCCN1CC=CCC1
InChIInChI=1S/C8H16N2.C2H6/c1-9-5-8-10-6-3-2-4-7-10;1-2/h2-3,9H,4-8H2,1H3;1-2H3
InChIKeyGHDMPDZGZNSJTA-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane (CID 144912225) is 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane is CC.CNCCN1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane?
The InChIKey is GHDMPDZGZNSJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C2H6/c1-9-5-8-10-6-3-2-4-7-10;1-2/h2-3,9H,4-8H2,1H3;1-2H3.
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane?
2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane has a molecular weight of 170.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)-N-methylethanamine;ethane is sourced from PubChem (CID 144912225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).