6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine

C13H24N2 — CID 86198223

IUPAC6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine
SMILESCC1CCN(CC2CC=CCC2N)CC1
InChIInChI=1S/C13H24N2/c1-11-6-8-15(9-7-11)10-12-4-2-3-5-13(12)14/h2-3,11-13H,4-10,14H2,1H3
InChIKeyKQCUGJAQBRFWDU-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.01
Rot. Bonds2

About 6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine

6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine (PubChem CID 86198223) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine
PubChem CID86198223
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine
SMILESCC1CCN(CC2CC=CCC2N)CC1
InChIInChI=1S/C13H24N2/c1-11-6-8-15(9-7-11)10-12-4-2-3-5-13(12)14/h2-3,11-13H,4-10,14H2,1H3
InChIKeyKQCUGJAQBRFWDU-UHFFFAOYSA-N
XLogP2.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-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 6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine?
The IUPAC name of 6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine (CID 86198223) is 6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine.
What is the SMILES notation for 6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine?
The canonical SMILES for 6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine is CC1CCN(CC2CC=CCC2N)CC1.
What is the InChIKey of 6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine?
The InChIKey is KQCUGJAQBRFWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-11-6-8-15(9-7-11)10-12-4-2-3-5-13(12)14/h2-3,11-13H,4-10,14H2,1H3.
What are the key properties of 6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine?
6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine has a molecular weight of 208.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpiperidin-1-yl)methyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 86198223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).