2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine

C12H20N2 — CID 105023232

IUPAC2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
SMILESCc1cncc(C(N)C(C)C(C)C)c1
InChIInChI=1S/C12H20N2/c1-8(2)10(4)12(13)11-5-9(3)6-14-7-11/h5-8,10,12H,13H2,1-4H3
InChIKeyYMNGOEAPFSCZMU-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.68
Rot. Bonds3

About 2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine

2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine (PubChem CID 105023232) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
PubChem CID105023232
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
SMILESCc1cncc(C(N)C(C)C(C)C)c1
InChIInChI=1S/C12H20N2/c1-8(2)10(4)12(13)11-5-9(3)6-14-7-11/h5-8,10,12H,13H2,1-4H3
InChIKeyYMNGOEAPFSCZMU-UHFFFAOYSA-N
XLogP2.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 105022959
1-(5-methyl-3-pyridinyl)-3-methylsulfonylpropan-1-amine
CID 114984298
1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105023199
1-(5-methyl-3-pyridinyl)dodecan-1-amine
CID 105022916
2-ethyl-1-(5-methyl-3-pyridinyl)hexan-1-amine
CID 105022799
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 115374663
1-(5-methyl-3-pyridinyl)hex-4-yn-1-amine
CID 105181558
1-(5-methyl-3-pyridinyl)hex-5-yn-1-amine
CID 105179674
1-(5-methyl-3-pyridinyl)-3-propoxypropan-1-amine
CID 105173870
(3,5-dichlorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 105023142
2-methyl-N-[1-(5-methyl-3-pyridinyl)ethyl]propan-2-amine
CID 130660349
(4-fluorophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374243

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The IUPAC name of 2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine (CID 105023232) is 2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The canonical SMILES for 2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine is Cc1cncc(C(N)C(C)C(C)C)c1.
What is the InChIKey of 2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
The InChIKey is YMNGOEAPFSCZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-8(2)10(4)12(13)11-5-9(3)6-14-7-11/h5-8,10,12H,13H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine?
2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 105023232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).