(1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

C16H29N5 — CID 95284907

IUPAC(1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@H]1CCN2CCCC[C@H]12
InChIInChI=1S/C16H29N5/c1-12-13(16(19(2)3)20(4)18-12)11-17-14-8-10-21-9-6-5-7-15(14)21/h14-15,17H,5-11H2,1-4H3/t14-,15+/m0/s1
InChIKeyJXDYRIPWIBUNIM-LSDHHAIUSA-N
MW291.44 g/mol
LogP1.51
Rot. Bonds4

About (1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine

(1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 95284907) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is (1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound Name(1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID95284907
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name(1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCc1nn(C)c(N(C)C)c1CN[C@H]1CCN2CCCC[C@H]12
InChIInChI=1S/C16H29N5/c1-12-13(16(19(2)3)20(4)18-12)11-17-14-8-10-21-9-6-5-7-15(14)21/h14-15,17H,5-11H2,1-4H3/t14-,15+/m0/s1
InChIKeyJXDYRIPWIBUNIM-LSDHHAIUSA-N
XLogP1.51
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of (1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 95284907) is (1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for (1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for (1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is Cc1nn(C)c(N(C)C)c1CN[C@H]1CCN2CCCC[C@H]12.
What is the InChIKey of (1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is JXDYRIPWIBUNIM-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H29N5/c1-12-13(16(19(2)3)20(4)18-12)11-17-14-8-10-21-9-6-5-7-15(14)21/h14-15,17H,5-11H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of (1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
(1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 291.44 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 95284907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).