2-(2,6-dimethyl-4-pyridinyl)butan-1-amine

C11H18N2 — CID 82409825

IUPAC2-(2,6-dimethyl-4-pyridinyl)butan-1-amine
SMILESCCC(CN)c1cc(C)nc(C)c1
InChIInChI=1S/C11H18N2/c1-4-10(7-12)11-5-8(2)13-9(3)6-11/h5-6,10H,4,7,12H2,1-3H3
InChIKeyDSTIJNWQXLKWTA-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.15
Rot. Bonds3

About 2-(2,6-dimethyl-4-pyridinyl)butan-1-amine

2-(2,6-dimethyl-4-pyridinyl)butan-1-amine (PubChem CID 82409825) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)butan-1-amine
PubChem CID82409825
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)butan-1-amine
SMILESCCC(CN)c1cc(C)nc(C)c1
InChIInChI=1S/C11H18N2/c1-4-10(7-12)11-5-8(2)13-9(3)6-11/h5-6,10H,4,7,12H2,1-3H3
InChIKeyDSTIJNWQXLKWTA-UHFFFAOYSA-N
XLogP2.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,6-dimethyl-4-pyridinyl)propan-1-amine
CID 107504745
1-(2,6-dimethyl-4-pyridinyl)propan-1-ol
CID 107502848
1-(2,6-dimethyl-4-pyridinyl)-2-methylbutan-1-amine
CID 107503239
2-(5-methylthiophen-3-yl)butan-1-amine
CID 82412623
1-(2,6-dimethyl-4-pyridinyl)-N-methylpropan-1-amine
CID 107503443
2-(2,5-dimethylpyrazol-3-yl)butan-1-amine
CID 83827000
1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 82417415
2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116896429
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
2-(1,2-oxazol-4-yl)butan-1-amine
CID 82418190
diethyl 2-(2,6-dimethyl-4-pyridinyl)propanedioate
CID 175006803
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-1-amine;hydrochloride
CID 86262707

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)butan-1-amine?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)butan-1-amine (CID 82409825) is 2-(2,6-dimethyl-4-pyridinyl)butan-1-amine.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)butan-1-amine?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)butan-1-amine is CCC(CN)c1cc(C)nc(C)c1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)butan-1-amine?
The InChIKey is DSTIJNWQXLKWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-10(7-12)11-5-8(2)13-9(3)6-11/h5-6,10H,4,7,12H2,1-3H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)butan-1-amine?
2-(2,6-dimethyl-4-pyridinyl)butan-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)butan-1-amine is sourced from PubChem (CID 82409825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).