N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine

C15H22N2O — CID 62290414

IUPACN-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine
SMILESCNCc1ccnc(OCC2CC=CCC2C)c1
InChIInChI=1S/C15H22N2O/c1-12-5-3-4-6-14(12)11-18-15-9-13(10-16-2)7-8-17-15/h3-4,7-9,12,14,16H,5-6,10-11H2,1-2H3
InChIKeyMIBVECAHPPHODZ-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.78
Rot. Bonds5

About N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine

N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine (PubChem CID 62290414) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine
PubChem CID62290414
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine
SMILESCNCc1ccnc(OCC2CC=CCC2C)c1
InChIInChI=1S/C15H22N2O/c1-12-5-3-4-6-14(12)11-18-15-9-13(10-16-2)7-8-17-15/h3-4,7-9,12,14,16H,5-6,10-11H2,1-2H3
InChIKeyMIBVECAHPPHODZ-UHFFFAOYSA-N
XLogP2.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine?
The IUPAC name of N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine (CID 62290414) is N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine?
The canonical SMILES for N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine is CNCc1ccnc(OCC2CC=CCC2C)c1.
What is the InChIKey of N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine?
The InChIKey is MIBVECAHPPHODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-3-4-6-14(12)11-18-15-9-13(10-16-2)7-8-17-15/h3-4,7-9,12,14,16H,5-6,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine?
N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine has a molecular weight of 246.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanamine is sourced from PubChem (CID 62290414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).