N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

C16H25N3 — CID 114515997

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCN1CCC(CCNc2ccc3c(n2)CCC3)CC1
InChIInChI=1S/C16H25N3/c1-19-11-8-13(9-12-19)7-10-17-16-6-5-14-3-2-4-15(14)18-16/h5-6,13H,2-4,7-12H2,1H3,(H,17,18)
InChIKeyNCGQXLRPQGCOBI-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.71
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine

N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (PubChem CID 114515997) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
PubChem CID114515997
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
SMILESCN1CCC(CCNc2ccc3c(n2)CCC3)CC1
InChIInChI=1S/C16H25N3/c1-19-11-8-13(9-12-19)7-10-17-16-6-5-14-3-2-4-15(14)18-16/h5-6,13H,2-4,7-12H2,1H3,(H,17,18)
InChIKeyNCGQXLRPQGCOBI-UHFFFAOYSA-N
XLogP2.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 104973469
2-N-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114516993
5-chloro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridin-2-amine
CID 114515987
2-N-ethyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-2,4-diamine
CID 114517041
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 114516944
N-(thian-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113487776
N-[2-(trifluoromethylsulfanyl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106430862
N-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390795
4-N-[2-(1-methylpiperidin-4-yl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 114516943
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 113390879
N'-(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)ethane-1,2-diamine
CID 83833578

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine (CID 114515997) is N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is CN1CCC(CCNc2ccc3c(n2)CCC3)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
The InChIKey is NCGQXLRPQGCOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-19-11-8-13(9-12-19)7-10-17-16-6-5-14-3-2-4-15(14)18-16/h5-6,13H,2-4,7-12H2,1H3,(H,17,18).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine?
N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine has a molecular weight of 259.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine is sourced from PubChem (CID 114515997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).