1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine

C17H26N2O — CID 62291311

IUPAC1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1OCC1CC=CCC1C
InChIInChI=1S/C17H26N2O/c1-12-7-5-6-8-15(12)11-20-17-16(10-18-4)13(2)9-14(3)19-17/h5-6,9,12,15,18H,7-8,10-11H2,1-4H3
InChIKeyZNYAHCBCGHPFKZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.40
Rot. Bonds5

About 1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine

1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine (PubChem CID 62291311) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine
PubChem CID62291311
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1OCC1CC=CCC1C
InChIInChI=1S/C17H26N2O/c1-12-7-5-6-8-15(12)11-20-17-16(10-18-4)13(2)9-14(3)19-17/h5-6,9,12,15,18H,7-8,10-11H2,1-4H3
InChIKeyZNYAHCBCGHPFKZ-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine 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 1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine (CID 62291311) is 1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine is CNCc1c(C)cc(C)nc1OCC1CC=CCC1C.
What is the InChIKey of 1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine?
The InChIKey is ZNYAHCBCGHPFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-7-5-6-8-15(12)11-20-17-16(10-18-4)13(2)9-14(3)19-17/h5-6,9,12,15,18H,7-8,10-11H2,1-4H3.
What are the key properties of 1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine?
1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine has a molecular weight of 274.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-dimethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62291311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).