2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine

C18H32N2O — CID 62726242

IUPAC2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C18H32N2O/c1-7-9-10-18(8-2,13-19-5)11-16-15(4)17(21-6)14(3)12-20-16/h12,19H,7-11,13H2,1-6H3
InChIKeyBFMLPAUYPJLEAF-UHFFFAOYSA-N
MW292.47 g/mol
LogP4.06
Rot. Bonds9

About 2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine

2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine (PubChem CID 62726242) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine
PubChem CID62726242
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine
SMILESCCCCC(CC)(CNC)Cc1ncc(C)c(OC)c1C
InChIInChI=1S/C18H32N2O/c1-7-9-10-18(8-2,13-19-5)11-16-15(4)17(21-6)14(3)12-20-16/h12,19H,7-11,13H2,1-6H3
InChIKeyBFMLPAUYPJLEAF-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine?
The IUPAC name of 2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine (CID 62726242) is 2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine?
The canonical SMILES for 2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine is CCCCC(CC)(CNC)Cc1ncc(C)c(OC)c1C.
What is the InChIKey of 2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine?
The InChIKey is BFMLPAUYPJLEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-9-10-18(8-2,13-19-5)11-16-15(4)17(21-6)14(3)12-20-16/h12,19H,7-11,13H2,1-6H3.
What are the key properties of 2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine?
2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 4.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylhexan-1-amine is sourced from PubChem (CID 62726242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).