(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

C18H33N5 — CID 95274939

IUPAC(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
SMILESCC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CCN2CCCC[C@H]12
InChIInChI=1S/C18H33N5/c1-13(2)17-14(18(21(3)4)22(5)20-17)12-19-15-9-11-23-10-7-6-8-16(15)23/h13,15-16,19H,6-12H2,1-5H3/t15-,16-/m1/s1
InChIKeyYKEAEIRXDQAFSU-HZPDHXFCSA-N
MW319.50 g/mol
LogP2.33
Rot. Bonds5

About (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

(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 (PubChem CID 95274939) has the molecular formula C18H33N5 and a molecular weight of 319.50 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID95274939
Molecular FormulaC18H33N5
Molecular Weight319.50 g/mol
Exact Mass319.27
IUPAC Name(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
SMILESCC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CCN2CCCC[C@H]12
InChIInChI=1S/C18H33N5/c1-13(2)17-14(18(21(3)4)22(5)20-17)12-19-15-9-11-23-10-7-6-8-16(15)23/h13,15-16,19H,6-12H2,1-5H3/t15-,16-/m1/s1
InChIKeyYKEAEIRXDQAFSU-HZPDHXFCSA-N
XLogP2.33
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CCN2CCCC[C@H]12.
What is the InChIKey of (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?
The InChIKey is YKEAEIRXDQAFSU-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H33N5/c1-13(2)17-14(18(21(3)4)22(5)20-17)12-19-15-9-11-23-10-7-6-8-16(15)23/h13,15-16,19H,6-12H2,1-5H3/t15-,16-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 319.50 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 95274939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).