2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine

C13H22N2 — CID 115876396

IUPAC2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine
SMILESCC(C)CNC(c1ccncc1)C(C)C
InChIInChI=1S/C13H22N2/c1-10(2)9-15-13(11(3)4)12-5-7-14-8-6-12/h5-8,10-11,13,15H,9H2,1-4H3
InChIKeyFFTUJJKVAIIEPW-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.02
Rot. Bonds5

About 2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine

2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine (PubChem CID 115876396) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine
PubChem CID115876396
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine
SMILESCC(C)CNC(c1ccncc1)C(C)C
InChIInChI=1S/C13H22N2/c1-10(2)9-15-13(11(3)4)12-5-7-14-8-6-12/h5-8,10-11,13,15H,9H2,1-4H3
InChIKeyFFTUJJKVAIIEPW-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 60820043
(1R)-2-methyl-N-(2-methylpropyl)-1-phenylpropan-1-amine
CID 93027510
N-(1-cyclopropylethyl)-2-methyl-1-pyridin-4-ylpropan-1-amine
CID 115677054
N-(2-methyl-1-pyridin-4-ylpropyl)cyclopentanamine
CID 115720159
2-methyl-1-phenyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 43685407
N-ethyl-2-methyl-1-pyridin-4-ylpentan-1-amine
CID 107893389
N-methyl-1,2-dipyridin-4-ylpropan-1-amine
CID 66446384
1-[(2-methyl-1-phenylpropyl)amino]propan-2-ol
CID 43776294
(2S)-1-[[(1S)-2-methyl-1-phenylpropyl]amino]propan-2-ol
CID 93288190
N-ethyl-3-methyl-1-pyridin-4-ylbutan-1-amine
CID 60820218
2-methyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 43202297
1-(methylamino)-1-pyridin-4-ylpropan-2-ol
CID 116859507

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine (CID 115876396) is 2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine is CC(C)CNC(c1ccncc1)C(C)C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine?
The InChIKey is FFTUJJKVAIIEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)9-15-13(11(3)4)12-5-7-14-8-6-12/h5-8,10-11,13,15H,9H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine?
2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-1-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 115876396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).