[4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine

C13H20N2 — CID 118548996

IUPAC[4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine
SMILESCC1C=C(C2=CCC(CN)C=C2)CNC1
InChIInChI=1S/C13H20N2/c1-10-6-13(9-15-8-10)12-4-2-11(7-14)3-5-12/h2,4-6,10-11,15H,3,7-9,14H2,1H3
InChIKeyHFXVTSBJNQLSOV-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.61
Rot. Bonds2

About [4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine

[4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 118548996) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is [4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine
PubChem CID118548996
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name[4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine
SMILESCC1C=C(C2=CCC(CN)C=C2)CNC1
InChIInChI=1S/C13H20N2/c1-10-6-13(9-15-8-10)12-4-2-11(7-14)3-5-12/h2,4-6,10-11,15H,3,7-9,14H2,1H3
InChIKeyHFXVTSBJNQLSOV-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine 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 [4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine (CID 118548996) is [4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine is CC1C=C(C2=CCC(CN)C=C2)CNC1.
What is the InChIKey of [4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is HFXVTSBJNQLSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-6-13(9-15-8-10)12-4-2-11(7-14)3-5-12/h2,4-6,10-11,15H,3,7-9,14H2,1H3.
What are the key properties of [4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine?
[4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,3,6-tetrahydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 118548996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).