2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine

C13H22N2 — CID 102794623

IUPAC2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1cncc(C)c1
InChIInChI=1S/C13H22N2/c1-5-6-13(3,4)15-10-12-7-11(2)8-14-9-12/h7-9,15H,5-6,10H2,1-4H3
InChIKeyQSBZPRFXPTUXFO-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.06
Rot. Bonds5

About 2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine

2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine (PubChem CID 102794623) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
PubChem CID102794623
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1cncc(C)c1
InChIInChI=1S/C13H22N2/c1-5-6-13(3,4)15-10-12-7-11(2)8-14-9-12/h7-9,15H,5-6,10H2,1-4H3
InChIKeyQSBZPRFXPTUXFO-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine (CID 102794623) is 2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine is CCCC(C)(C)NCc1cncc(C)c1.
What is the InChIKey of 2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine?
The InChIKey is QSBZPRFXPTUXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-6-13(3,4)15-10-12-7-11(2)8-14-9-12/h7-9,15H,5-6,10H2,1-4H3.
What are the key properties of 2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine?
2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine is sourced from PubChem (CID 102794623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).