(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine

C8H16N2 — CID 15023458

IUPAC(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESCCN1CC=C(CN)CC1
InChIInChI=1S/C8H16N2/c1-2-10-5-3-8(7-9)4-6-10/h3H,2,4-7,9H2,1H3
InChIKeyMWLSNECUOQEEMC-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.60
Rot. Bonds2

About (1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine

(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (PubChem CID 15023458) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
PubChem CID15023458
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine
SMILESCCN1CC=C(CN)CC1
InChIInChI=1S/C8H16N2/c1-2-10-5-3-8(7-9)4-6-10/h3H,2,4-7,9H2,1H3
InChIKeyMWLSNECUOQEEMC-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 (1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The IUPAC name of (1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine (CID 15023458) is (1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine.
What is the SMILES notation for (1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The canonical SMILES for (1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine is CCN1CC=C(CN)CC1.
What is the InChIKey of (1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
The InChIKey is MWLSNECUOQEEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-10-5-3-8(7-9)4-6-10/h3H,2,4-7,9H2,1H3.
What are the key properties of (1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine?
(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine 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 (1-ethyl-3,6-dihydro-2H-pyridin-4-yl)methanamine is sourced from PubChem (CID 15023458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).