1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine

C16H26N2O — CID 114342352

IUPAC1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(C)cc1OC1CCC(C)(C)CC1
InChIInChI=1S/C16H26N2O/c1-12-9-15(13(10-17-4)11-18-12)19-14-5-7-16(2,3)8-6-14/h9,11,14,17H,5-8,10H2,1-4H3
InChIKeyQGFUFLUUOYJIMF-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.46
Rot. Bonds4

About 1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine

1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 114342352) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID114342352
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnc(C)cc1OC1CCC(C)(C)CC1
InChIInChI=1S/C16H26N2O/c1-12-9-15(13(10-17-4)11-18-12)19-14-5-7-16(2,3)8-6-14/h9,11,14,17H,5-8,10H2,1-4H3
InChIKeyQGFUFLUUOYJIMF-UHFFFAOYSA-N
XLogP3.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine (CID 114342352) is 1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine is CNCc1cnc(C)cc1OC1CCC(C)(C)CC1.
What is the InChIKey of 1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is QGFUFLUUOYJIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-15(13(10-17-4)11-18-12)19-14-5-7-16(2,3)8-6-14/h9,11,14,17H,5-8,10H2,1-4H3.
What are the key properties of 1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine?
1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-dimethylcyclohexyl)oxy-6-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114342352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).