2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine

C13H22N2 — CID 115854887

IUPAC2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
SMILESCCC(CC)C(NC)c1ccc(C)nc1
InChIInChI=1S/C13H22N2/c1-5-11(6-2)13(14-4)12-8-7-10(3)15-9-12/h7-9,11,13-14H,5-6H2,1-4H3
InChIKeyGEAXMOSZSVVYGU-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.09
Rot. Bonds5

About 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine

2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine (PubChem CID 115854887) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
PubChem CID115854887
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
SMILESCCC(CC)C(NC)c1ccc(C)nc1
InChIInChI=1S/C13H22N2/c1-5-11(6-2)13(14-4)12-8-7-10(3)15-9-12/h7-9,11,13-14H,5-6H2,1-4H3
InChIKeyGEAXMOSZSVVYGU-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-methyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 79617046
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116772313
1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 43481938
ethane;(1S)-N-ethyl-1-(6-methyl-3-pyridinyl)propan-1-amine
CID 143971638
1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
CID 115797109
2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)-2-phenylbutan-1-amine
CID 63155930
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
N-ethyl-2-methyl-1-(6-methyl-3-pyridinyl)pentan-1-amine
CID 115854971
N-methyl-1-(6-methyl-3-pyridinyl)nonan-1-amine
CID 115854494
2,3-dimethyl-1-(6-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 115854567
3-methoxy-N,3-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 103027120

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
The IUPAC name of 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine (CID 115854887) is 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
The canonical SMILES for 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine is CCC(CC)C(NC)c1ccc(C)nc1.
What is the InChIKey of 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
The InChIKey is GEAXMOSZSVVYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-11(6-2)13(14-4)12-8-7-10(3)15-9-12/h7-9,11,13-14H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine?
2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 115854887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).