1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine

C12H16N2 — CID 164659572

IUPAC1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine
SMILESCc1cccc(CC2(N)CC=CC2)n1
InChIInChI=1S/C12H16N2/c1-10-5-4-6-11(14-10)9-12(13)7-2-3-8-12/h2-6H,7-9,13H2,1H3
InChIKeyCIGSNRUIJHVUBG-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.98
Rot. Bonds2

About 1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine

1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine (PubChem CID 164659572) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine
PubChem CID164659572
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine
SMILESCc1cccc(CC2(N)CC=CC2)n1
InChIInChI=1S/C12H16N2/c1-10-5-4-6-11(14-10)9-12(13)7-2-3-8-12/h2-6H,7-9,13H2,1H3
InChIKeyCIGSNRUIJHVUBG-UHFFFAOYSA-N
XLogP1.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine (CID 164659572) is 1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine is Cc1cccc(CC2(N)CC=CC2)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine?
The InChIKey is CIGSNRUIJHVUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-5-4-6-11(14-10)9-12(13)7-2-3-8-12/h2-6H,7-9,13H2,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine?
1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine has a molecular weight of 188.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]cyclopent-3-en-1-amine is sourced from PubChem (CID 164659572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).