N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine

C16H26N2O — CID 47090457

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine
SMILESCOc1c(C)cnc(CN(C)C2CCCCC2)c1C
InChIInChI=1S/C16H26N2O/c1-12-10-17-15(13(2)16(12)19-4)11-18(3)14-8-6-5-7-9-14/h10,14H,5-9,11H2,1-4H3
InChIKeyMJNGQNAKHXPDOU-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.47
Rot. Bonds4

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine (PubChem CID 47090457) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine
PubChem CID47090457
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine
SMILESCOc1c(C)cnc(CN(C)C2CCCCC2)c1C
InChIInChI=1S/C16H26N2O/c1-12-10-17-15(13(2)16(12)19-4)11-18(3)14-8-6-5-7-9-14/h10,14H,5-9,11H2,1-4H3
InChIKeyMJNGQNAKHXPDOU-UHFFFAOYSA-N
XLogP3.47
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine (CID 47090457) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine is COc1c(C)cnc(CN(C)C2CCCCC2)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine?
The InChIKey is MJNGQNAKHXPDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-10-17-15(13(2)16(12)19-4)11-18(3)14-8-6-5-7-9-14/h10,14H,5-9,11H2,1-4H3.
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine has a molecular weight of 262.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine is sourced from PubChem (CID 47090457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).