N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C13H22N4 — CID 54881794

IUPACN-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(NC1CCN2CCCCC12)c1ccn[nH]1
InChIInChI=1S/C13H22N4/c1-10(11-5-7-14-16-11)15-12-6-9-17-8-3-2-4-13(12)17/h5,7,10,12-13,15H,2-4,6,8-9H2,1H3,(H,14,16)
InChIKeyKRKHTTDKOVKACX-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.69
Rot. Bonds3

About N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 54881794) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID54881794
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(NC1CCN2CCCCC12)c1ccn[nH]1
InChIInChI=1S/C13H22N4/c1-10(11-5-7-14-16-11)15-12-6-9-17-8-3-2-4-13(12)17/h5,7,10,12-13,15H,2-4,6,8-9H2,1H3,(H,14,16)
InChIKeyKRKHTTDKOVKACX-UHFFFAOYSA-N
XLogP1.69
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694434
2-imidazol-1-yl-N-[1-(1H-pyrazol-5-yl)ethyl]cyclopentan-1-amine
CID 54881823
N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 64993624
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783408
N-(1-cyclopentylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55096518
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 63752266
N-(1-cyclohexylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43783420
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853310
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694247
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694423
N-(1-thiophen-3-ylethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62090694
N-(1-thieno[3,2-b]pyridin-6-ylethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 64828411

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 54881794) is N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CC(NC1CCN2CCCCC12)c1ccn[nH]1.
What is the InChIKey of N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is KRKHTTDKOVKACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10(11-5-7-14-16-11)15-12-6-9-17-8-3-2-4-13(12)17/h5,7,10,12-13,15H,2-4,6,8-9H2,1H3,(H,14,16).
What are the key properties of N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 234.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-pyrazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 54881794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).