2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine

C15H26N4 — CID 103569643

IUPAC2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(C(CN)N2CCCC3CCCC32)cn1
InChIInChI=1S/C15H26N4/c1-2-18-11-13(10-17-18)15(9-16)19-8-4-6-12-5-3-7-14(12)19/h10-12,14-15H,2-9,16H2,1H3
InChIKeyQTUWDCUXZCZBTE-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.17
Rot. Bonds4

About 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 103569643) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID103569643
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(C(CN)N2CCCC3CCCC32)cn1
InChIInChI=1S/C15H26N4/c1-2-18-11-13(10-17-18)15(9-16)19-8-4-6-12-5-3-7-14(12)19/h10-12,14-15H,2-9,16H2,1H3
InChIKeyQTUWDCUXZCZBTE-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 103569546
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571823
2-(2-propan-2-ylpyrrolidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571938
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-bromophenyl)ethanamine
CID 65319165
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(3,5-difluorophenyl)ethanamine
CID 106528687
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65319110
2-(1-ethylpyrazol-4-yl)-2-(4-methoxypiperidin-1-yl)ethanamine
CID 103569451
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-pyridin-3-ylethanamine
CID 102725488
1-[2-amino-1-(1-ethylpyrazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 103569603
2-(1-ethylpyrazol-4-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 103569678
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 83089268
2-(2-propylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 103571978

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine (CID 103569643) is 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine is CCn1cc(C(CN)N2CCCC3CCCC32)cn1.
What is the InChIKey of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is QTUWDCUXZCZBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-18-11-13(10-17-18)15(9-16)19-8-4-6-12-5-3-7-14(12)19/h10-12,14-15H,2-9,16H2,1H3.
What are the key properties of 2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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)-2-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103569643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).