2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine

C12H21N3 — CID 104739891

IUPAC2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine
SMILESCC(C)CCN(C)Cc1ncccc1N
InChIInChI=1S/C12H21N3/c1-10(2)6-8-15(3)9-12-11(13)5-4-7-14-12/h4-5,7,10H,6,8-9,13H2,1-3H3
InChIKeyMACMLXDJQPLJQY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.14
Rot. Bonds5

About 2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine

2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine (PubChem CID 104739891) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine
PubChem CID104739891
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine
SMILESCC(C)CCN(C)Cc1ncccc1N
InChIInChI=1S/C12H21N3/c1-10(2)6-8-15(3)9-12-11(13)5-4-7-14-12/h4-5,7,10H,6,8-9,13H2,1-3H3
InChIKeyMACMLXDJQPLJQY-UHFFFAOYSA-N
XLogP2.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-3-amine
CID 113447468
2-[[2-methoxyethyl(2-methylpropyl)amino]methyl]pyridin-3-amine
CID 104739945
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447401
2-(aminomethyl)-N-methyl-N-(3-methylbutyl)pyridine-3-sulfonamide
CID 106594065
2-[[methyl(2-methylpropyl)amino]methyl]pyridin-3-ol
CID 135308026
2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridin-3-amine
CID 104740060
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine
CID 62471546
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridin-3-amine
CID 105421264
2-[[2-methoxyethyl(1-methoxypropan-2-yl)amino]methyl]pyridin-3-amine
CID 104739958
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]pyridin-3-amine
CID 113447418
2-[[benzyl(propan-2-yl)amino]methyl]pyridin-3-amine
CID 104739694
3-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465576

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine?
The IUPAC name of 2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine (CID 104739891) is 2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine.
What is the SMILES notation for 2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine?
The canonical SMILES for 2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine is CC(C)CCN(C)Cc1ncccc1N.
What is the InChIKey of 2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine?
The InChIKey is MACMLXDJQPLJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)6-8-15(3)9-12-11(13)5-4-7-14-12/h4-5,7,10H,6,8-9,13H2,1-3H3.
What are the key properties of 2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine?
2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(3-methylbutyl)amino]methyl]pyridin-3-amine is sourced from PubChem (CID 104739891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).