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

C8H16N2 — CID 71757538

IUPAC2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
SMILESCN1CC=C(CCN)CC1
InChIInChI=1S/C8H16N2/c1-10-6-3-8(2-5-9)4-7-10/h3H,2,4-7,9H2,1H3
InChIKeyNVKKKSVOSONJJV-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.60
Rot. Bonds2

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

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine (PubChem CID 71757538) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
PubChem CID71757538
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine
SMILESCN1CC=C(CCN)CC1
InChIInChI=1S/C8H16N2/c1-10-6-3-8(2-5-9)4-7-10/h3H,2,4-7,9H2,1H3
InChIKeyNVKKKSVOSONJJV-UHFFFAOYSA-N
XLogP0.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.60
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-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The IUPAC name of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine (CID 71757538) is 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine.
What is the SMILES notation for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The canonical SMILES for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine is CN1CC=C(CCN)CC1.
What is the InChIKey of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
The InChIKey is NVKKKSVOSONJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-6-3-8(2-5-9)4-7-10/h3H,2,4-7,9H2,1H3.
What are the key properties of 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine?
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine has a molecular weight of 140.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethanamine is sourced from PubChem (CID 71757538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).