2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine

C14H24N2 — CID 65322633

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)N1CCCC2CCCC21
InChIInChI=1S/C14H24N2/c1-3-9-15-11-12(2)16-10-5-7-13-6-4-8-14(13)16/h1,12-15H,4-11H2,2H3
InChIKeyLVKINGBBDIMSTH-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.86
Rot. Bonds4

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine (PubChem CID 65322633) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine
PubChem CID65322633
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)N1CCCC2CCCC21
InChIInChI=1S/C14H24N2/c1-3-9-15-11-12(2)16-10-5-7-13-6-4-8-14(13)16/h1,12-15H,4-11H2,2H3
InChIKeyLVKINGBBDIMSTH-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine (CID 65322633) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine is C#CCNCC(C)N1CCCC2CCCC21.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine?
The InChIKey is LVKINGBBDIMSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-9-15-11-12(2)16-10-5-7-13-6-4-8-14(13)16/h1,12-15H,4-11H2,2H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine has a molecular weight of 220.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 65322633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).