N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C13H18N2 — CID 106191346

IUPACN-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCC(C)=CCNc1ccc2c(n1)CCC2
InChIInChI=1S/C13H18N2/c1-10(2)8-9-14-13-7-6-11-4-3-5-12(11)15-13/h6-8H,3-5,9H2,1-2H3,(H,14,15)
InChIKeyWFFYVTIYZSHNSC-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.95
Rot. Bonds3

About N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 106191346) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID106191346
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCC(C)=CCNc1ccc2c(n1)CCC2
InChIInChI=1S/C13H18N2/c1-10(2)8-9-14-13-7-6-11-4-3-5-12(11)15-13/h6-8H,3-5,9H2,1-2H3,(H,14,15)
InChIKeyWFFYVTIYZSHNSC-UHFFFAOYSA-N
XLogP2.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.95
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 N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 106191346) is N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is CC(C)=CCNc1ccc2c(n1)CCC2.
What is the InChIKey of N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is WFFYVTIYZSHNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10(2)8-9-14-13-7-6-11-4-3-5-12(11)15-13/h6-8H,3-5,9H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 202.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 106191346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).