2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine

C13H22N2 — CID 103460819

IUPAC2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine
SMILESCCC(C)(C)CNCc1cnccc1C
InChIInChI=1S/C13H22N2/c1-5-13(3,4)10-15-9-12-8-14-7-6-11(12)2/h6-8,15H,5,9-10H2,1-4H3
InChIKeyNEJMJYNPQJAQES-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.92
Rot. Bonds5

About 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine

2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine (PubChem CID 103460819) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine
PubChem CID103460819
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine
SMILESCCC(C)(C)CNCc1cnccc1C
InChIInChI=1S/C13H22N2/c1-5-13(3,4)10-15-9-12-8-14-7-6-11(12)2/h6-8,15H,5,9-10H2,1-4H3
InChIKeyNEJMJYNPQJAQES-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(4-methyl-3-pyridinyl)methyl]pentan-3-amine
CID 103829141
methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate
CID 114955525
N-(2,2-dimethylbutyl)-3-methylpyridin-4-amine
CID 103462384
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
N-methyl-1-(4-methyl-3-pyridinyl)methanamine;dihydrochloride
CID 171316354
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
4-[(4-methyl-3-pyridinyl)methylamino]butan-1-ol
CID 114955437
5-iodo-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956718
4,6-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 114956711
(4-methyl-3-pyridinyl)methylcyanamide
CID 114955581
4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 114954745
4-ethyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]aniline
CID 114078614

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine (CID 103460819) is 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine is CCC(C)(C)CNCc1cnccc1C.
What is the InChIKey of 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine?
The InChIKey is NEJMJYNPQJAQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-13(3,4)10-15-9-12-8-14-7-6-11(12)2/h6-8,15H,5,9-10H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine?
2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine has a molecular weight of 206.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]butan-1-amine is sourced from PubChem (CID 103460819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).