N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C14H20N2O2 — CID 113450436

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCOC1(CNc2ccc3c(n2)CCC3)CCOC1
InChIInChI=1S/C14H20N2O2/c1-17-14(7-8-18-10-14)9-15-13-6-5-11-3-2-4-12(11)16-13/h5-6H,2-4,7-10H2,1H3,(H,15,16)
InChIKeyNZLNTDQOUXTHPJ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.79
Rot. Bonds4

About N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 113450436) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID113450436
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCOC1(CNc2ccc3c(n2)CCC3)CCOC1
InChIInChI=1S/C14H20N2O2/c1-17-14(7-8-18-10-14)9-15-13-6-5-11-3-2-4-12(11)16-13/h5-6H,2-4,7-10H2,1H3,(H,15,16)
InChIKeyNZLNTDQOUXTHPJ-UHFFFAOYSA-N
XLogP1.79
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 113450436) is N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is COC1(CNc2ccc3c(n2)CCC3)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is NZLNTDQOUXTHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-17-14(7-8-18-10-14)9-15-13-6-5-11-3-2-4-12(11)16-13/h5-6H,2-4,7-10H2,1H3,(H,15,16).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 113450436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).