7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine

C13H22N2 — CID 142050803

IUPAC7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1=NCCCC1.CC1=NCCCC=C1
InChIInChI=1S/C7H11N.C6H11N/c1-7-5-3-2-4-6-8-7;1-6-4-2-3-5-7-6/h3,5H,2,4,6H2,1H3;2-5H2,1H3
InChIKeyBUUXFDKWJUCBQR-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.43
Rot. Bonds

About 7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine

7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 142050803) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine
PubChem CID142050803
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1=NCCCC1.CC1=NCCCC=C1
InChIInChI=1S/C7H11N.C6H11N/c1-7-5-3-2-4-6-8-7;1-6-4-2-3-5-7-6/h3,5H,2,4,6H2,1H3;2-5H2,1H3
InChIKeyBUUXFDKWJUCBQR-UHFFFAOYSA-N
XLogP3.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-(3,4,5,6-Tetrahydropyridyl))-1,3-pentadiene
CID 6444364
6-Hepta-1,3,5-trienyl-2,3,4,5-tetrahydropyridine
CID 442650
Nigrifactin
CID 5281688
2-(1-Propenyl)-delta1-piperideine
CID 56972723
6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
CID 15937508
6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
Koreenceine A
CID 146683591
2-fluoro-N-pentylcyclohexa-2,4-dien-1-imine
CID 67831795
1-N,2-N-di(propan-2-yl)cyclohepta-3,5-diene-1,2-diimine
CID 101338172
N-hexylcyclohex-2-en-1-imine oxide
CID 44519933
6-[(E)-but-2-en-2-yl]-2,3,4,5-tetrahydropyridine
CID 135038641
5-[(E)-hept-1-enyl]-3,4-dihydro-2H-pyrrole
CID 71531028

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine (CID 142050803) is 7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine is CC1=NCCCC1.CC1=NCCCC=C1.
What is the InChIKey of 7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is BUUXFDKWJUCBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C6H11N/c1-7-5-3-2-4-6-8-7;1-6-4-2-3-5-7-6/h3,5H,2,4,6H2,1H3;2-5H2,1H3.
What are the key properties of 7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine?
7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 206.33 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-2H-azepine;6-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 142050803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).