4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine

C15H27N3 — CID 55075749

IUPAC4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCNc1cc(CN(CC(C)C)CC(C)C)ccn1
InChIInChI=1S/C15H27N3/c1-12(2)9-18(10-13(3)4)11-14-6-7-17-15(8-14)16-5/h6-8,12-13H,9-11H2,1-5H3,(H,16,17)
InChIKeyGGPUTNHMKPUIRP-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.24
Rot. Bonds7

About 4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine

4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine (PubChem CID 55075749) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine
PubChem CID55075749
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine
SMILESCNc1cc(CN(CC(C)C)CC(C)C)ccn1
InChIInChI=1S/C15H27N3/c1-12(2)9-18(10-13(3)4)11-14-6-7-17-15(8-14)16-5/h6-8,12-13H,9-11H2,1-5H3,(H,16,17)
InChIKeyGGPUTNHMKPUIRP-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471425
4-[[ethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62470960
4-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-N-propylpyridin-2-amine
CID 62469766
N-methyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62466263
4-[[cyclopropyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62472223
N'-[(2-chloro-4-pyridinyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62472378
N-[(2-hydrazinyl-4-pyridinyl)methyl]-N,3-dimethylbutan-1-amine
CID 62471546
4-[[2-methoxyethyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62466112
N-methyl-4-(3-methylbutan-2-ylsulfanylmethyl)pyridin-2-amine
CID 107756511
4-[[cyclohexyl(methyl)amino]methyl]-N-methylpyridin-2-amine
CID 62471655
4-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]pyridine-2-carbothioamide
CID 63882102
4-[[methyl(3-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 62465932

Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine (CID 55075749) is 4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine is CNc1cc(CN(CC(C)C)CC(C)C)ccn1.
What is the InChIKey of 4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine?
The InChIKey is GGPUTNHMKPUIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)9-18(10-13(3)4)11-14-6-7-17-15(8-14)16-5/h6-8,12-13H,9-11H2,1-5H3,(H,16,17).
What are the key properties of 4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine?
4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-methylpropyl)amino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 55075749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).