ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine

C8H18N2 — CID 145022868

IUPACethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine
SMILESCC.CC1=CCN(N)CC1
InChIInChI=1S/C6H12N2.C2H6/c1-6-2-4-8(7)5-3-6;1-2/h2H,3-5,7H2,1H3;1-2H3
InChIKeyAXSWZQUJGPQUOB-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.54
Rot. Bonds

About ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine

ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine (PubChem CID 145022868) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine.

Molecular Properties

Compound Nameethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine
PubChem CID145022868
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine
SMILESCC.CC1=CCN(N)CC1
InChIInChI=1S/C6H12N2.C2H6/c1-6-2-4-8(7)5-3-6;1-2/h2H,3-5,7H2,1H3;1-2H3
InChIKeyAXSWZQUJGPQUOB-UHFFFAOYSA-N
XLogP1.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine?
The IUPAC name of ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine (CID 145022868) is ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine.
What is the SMILES notation for ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine?
The canonical SMILES for ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine is CC.CC1=CCN(N)CC1.
What is the InChIKey of ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine?
The InChIKey is AXSWZQUJGPQUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-6-2-4-8(7)5-3-6;1-2/h2H,3-5,7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine?
ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3,6-dihydro-2H-pyridin-1-amine is sourced from PubChem (CID 145022868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).