2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine

C13H22N2 — CID 115698947

IUPAC2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
SMILESCCC(CC)CNCc1ccc(C)cn1
InChIInChI=1S/C13H22N2/c1-4-12(5-2)9-14-10-13-7-6-11(3)8-15-13/h6-8,12,14H,4-5,9-10H2,1-3H3
InChIKeyDOJCFMLIPAYSCH-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.92
Rot. Bonds6

About 2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine

2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine (PubChem CID 115698947) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
PubChem CID115698947
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
SMILESCCC(CC)CNCc1ccc(C)cn1
InChIInChI=1S/C13H22N2/c1-4-12(5-2)9-14-10-13-7-6-11(3)8-15-13/h6-8,12,14H,4-5,9-10H2,1-3H3
InChIKeyDOJCFMLIPAYSCH-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(5-methyl-2-pyridinyl)methylamino]methyl]hexan-1-ol
CID 103768725
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
1-(2-methylcyclopropyl)-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 115698887
2,2-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-3-amine
CID 115698944
2-methyl-1-[(5-methyl-2-pyridinyl)methylamino]butan-2-ol
CID 80710064
3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile
CID 81311804
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid
CID 107816753
5-methyl-2-[(2S)-2-methylbutyl]pyridine
CID 118944951
3-[(5-methyl-2-pyridinyl)methylamino]pentanenitrile
CID 81311591
N-[(1-ethylcyclopentyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 103768740

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine (CID 115698947) is 2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine is CCC(CC)CNCc1ccc(C)cn1.
What is the InChIKey of 2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine?
The InChIKey is DOJCFMLIPAYSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-12(5-2)9-14-10-13-7-6-11(3)8-15-13/h6-8,12,14H,4-5,9-10H2,1-3H3.
What are the key properties of 2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine?
2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine is sourced from PubChem (CID 115698947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).