1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine

C13H20N2 — CID 80709294

IUPAC1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
SMILESCc1ccc(CNC2(C)CCCC2)nc1
InChIInChI=1S/C13H20N2/c1-11-5-6-12(14-9-11)10-15-13(2)7-3-4-8-13/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyXTKKUZAQTASIHD-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.81
Rot. Bonds3

About 1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine

1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine (PubChem CID 80709294) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
PubChem CID80709294
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
SMILESCc1ccc(CNC2(C)CCCC2)nc1
InChIInChI=1S/C13H20N2/c1-11-5-6-12(14-9-11)10-15-13(2)7-3-4-8-13/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyXTKKUZAQTASIHD-UHFFFAOYSA-N
XLogP2.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine (CID 80709294) is 1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine is Cc1ccc(CNC2(C)CCCC2)nc1.
What is the InChIKey of 1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
The InChIKey is XTKKUZAQTASIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-5-6-12(14-9-11)10-15-13(2)7-3-4-8-13/h5-6,9,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine?
1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-2-pyridinyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 80709294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).