N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C15H26N4 — CID 64772705

IUPACN-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(C)n1ccc(CNC2CCN3CCCCC23)n1
InChIInChI=1S/C15H26N4/c1-12(2)19-10-6-13(17-19)11-16-14-7-9-18-8-4-3-5-15(14)18/h6,10,12,14-16H,3-5,7-9,11H2,1-2H3
InChIKeyKMSLJWFGNKANJU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.18
Rot. Bonds4

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

N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 64772705) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID64772705
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(C)n1ccc(CNC2CCN3CCCCC23)n1
InChIInChI=1S/C15H26N4/c1-12(2)19-10-6-13(17-19)11-16-14-7-9-18-8-4-3-5-15(14)18/h6,10,12,14-16H,3-5,7-9,11H2,1-2H3
InChIKeyKMSLJWFGNKANJU-UHFFFAOYSA-N
XLogP2.18
TPSA33.09 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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
CID 64687559
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
N-[(6-methyl-2-pyridinyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79267082
N-(pyrazin-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 55110319
4-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771439
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770922
4-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]benzonitrile
CID 43694345
(1R,8aR)-N-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 95274939
N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115652214
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62095806
N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 66410553
1,1-dioxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]thian-3-amine
CID 64772175

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 64772705) is N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CC(C)n1ccc(CNC2CCN3CCCCC23)n1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is KMSLJWFGNKANJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-12(2)19-10-6-13(17-19)11-16-14-7-9-18-8-4-3-5-15(14)18/h6,10,12,14-16H,3-5,7-9,11H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 64772705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).