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

C13H22N2 — CID 103905637

IUPAC3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1cncc(C)c1
InChIInChI=1S/C13H22N2/c1-5-11(3)12(4)15-9-13-6-10(2)7-14-8-13/h6-8,11-12,15H,5,9H2,1-4H3
InChIKeyDFOOWGWIWCNAKY-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.91
Rot. Bonds5

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

3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine (PubChem CID 103905637) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
PubChem CID103905637
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1cncc(C)c1
InChIInChI=1S/C13H22N2/c1-5-11(3)12(4)15-9-13-6-10(2)7-14-8-13/h6-8,11-12,15H,5,9H2,1-4H3
InChIKeyDFOOWGWIWCNAKY-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(5-methyl-3-pyridinyl)methylamino]propan-1-ol
CID 167984285
N-[(5-methyl-3-pyridinyl)methyl]but-3-en-2-amine
CID 102881066
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035
(1S)-1-cyclopentyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880981
(1R)-1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880962
(1S)-1-cyclohexyl-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880979
(1R)-1-(4-bromophenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102794730
1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
4-chloro-1-methoxy-N-[(5-methyl-3-pyridinyl)methyl]butan-2-amine
CID 106152389

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine?
The IUPAC name of 3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine (CID 103905637) is 3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine.
What is the SMILES notation for 3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine?
The canonical SMILES for 3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine is CCC(C)C(C)NCc1cncc(C)c1.
What is the InChIKey of 3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine?
The InChIKey is DFOOWGWIWCNAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-11(3)12(4)15-9-13-6-10(2)7-14-8-13/h6-8,11-12,15H,5,9H2,1-4H3.
What are the key properties of 3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine?
3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine has a molecular weight of 206.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-3-pyridinyl)methyl]pentan-2-amine is sourced from PubChem (CID 103905637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).