N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

C15H17N3 — CID 102774076

IUPACN-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESC[C@H](NC1CCc2cccnc21)c1cccnc1
InChIInChI=1S/C15H17N3/c1-11(13-5-2-8-16-10-13)18-14-7-6-12-4-3-9-17-15(12)14/h2-5,8-11,14,18H,6-7H2,1H3/t11-,14?/m0/s1
InChIKeyXOUCXLTVZFBMGF-ZSOXZCCMSA-N
MW239.32 g/mol
LogP2.81
Rot. Bonds3

About N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine

N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (PubChem CID 102774076) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
PubChem CID102774076
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
SMILESC[C@H](NC1CCc2cccnc21)c1cccnc1
InChIInChI=1S/C15H17N3/c1-11(13-5-2-8-16-10-13)18-14-7-6-12-4-3-9-17-15(12)14/h2-5,8-11,14,18H,6-7H2,1H3/t11-,14?/m0/s1
InChIKeyXOUCXLTVZFBMGF-ZSOXZCCMSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-pyridin-3-ylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81406455
N-[(1R)-1-pyridin-3-ylethyl]-2,3-dihydro-1H-inden-1-amine
CID 81407153
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774050
N-[(1S)-1-(4-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774035
N-[(1S)-1-(3-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774047
N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81351385
N-[(1R)-1-(4-methoxyphenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774037
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propan-1-ol
CID 102772845
N-[(1S)-1-(2-chlorophenyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine
CID 102774056
N-[(1R)-1-pyridin-3-ylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81406890
N-[(1R)-1-(3-bromophenyl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 81372732
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine (CID 102774076) is N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The canonical SMILES for N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is C[C@H](NC1CCc2cccnc21)c1cccnc1.
What is the InChIKey of N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
The InChIKey is XOUCXLTVZFBMGF-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H17N3/c1-11(13-5-2-8-16-10-13)18-14-7-6-12-4-3-9-17-15(12)14/h2-5,8-11,14,18H,6-7H2,1H3/t11-,14?/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine?
N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine has a molecular weight of 239.32 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-3-ylethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-amine is sourced from PubChem (CID 102774076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).