1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine

C16H26N2O — CID 62385087

IUPAC1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1OCC1CCCCC1
InChIInChI=1S/C16H26N2O/c1-12-9-13(2)18-16(15(12)10-17-3)19-11-14-7-5-4-6-8-14/h9,14,17H,4-8,10-11H2,1-3H3
InChIKeyDUOBCTXOLRDOLZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.38
Rot. Bonds5

About 1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine

1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 62385087) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
PubChem CID62385087
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1OCC1CCCCC1
InChIInChI=1S/C16H26N2O/c1-12-9-13(2)18-16(15(12)10-17-3)19-11-14-7-5-4-6-8-14/h9,14,17H,4-8,10-11H2,1-3H3
InChIKeyDUOBCTXOLRDOLZ-UHFFFAOYSA-N
XLogP3.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (CID 62385087) is 1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is CNCc1c(C)cc(C)nc1OCC1CCCCC1.
What is the InChIKey of 1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is DUOBCTXOLRDOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-13(2)18-16(15(12)10-17-3)19-11-14-7-5-4-6-8-14/h9,14,17H,4-8,10-11H2,1-3H3.
What are the key properties of 1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylmethoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62385087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).