N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C16H28N4 — CID 43783460

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(C)(C)n1cc(CNC2CCN3CCCCC23)cn1
InChIInChI=1S/C16H28N4/c1-16(2,3)20-12-13(11-18-20)10-17-14-7-9-19-8-5-4-6-15(14)19/h11-12,14-15,17H,4-10H2,1-3H3
InChIKeyTVKNKQGNMSEUIX-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.35
Rot. Bonds3

About N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 43783460) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID43783460
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(C)(C)n1cc(CNC2CCN3CCCCC23)cn1
InChIInChI=1S/C16H28N4/c1-16(2,3)20-12-13(11-18-20)10-17-14-7-9-19-8-5-4-6-15(14)19/h11-12,14-15,17H,4-10H2,1-3H3
InChIKeyTVKNKQGNMSEUIX-UHFFFAOYSA-N
XLogP2.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine with MolForge

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694267
3-[(1-tert-butylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 43792359
N-[(1-tert-butylpyrazol-4-yl)methyl]cyclopent-3-en-1-amine
CID 115696513
N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64722566
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 86808103
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzonitrile
CID 43694345
N-(pyridin-3-ylmethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752244
2-(azepan-1-yl)-N-[(1-tert-butylpyrazol-4-yl)methyl]ethanamine
CID 60956791
N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55110319
2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 111977174
N-[(3-bromo-4-methylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115876037
2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43673874

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 43783460) is N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CC(C)(C)n1cc(CNC2CCN3CCCCC23)cn1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is TVKNKQGNMSEUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-16(2,3)20-12-13(11-18-20)10-17-14-7-9-19-8-5-4-6-15(14)19/h11-12,14-15,17H,4-10H2,1-3H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 43783460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).