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

C14H24N4 — CID 43694485

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCc1n[nH]c(C)c1CNC1CCN2CCCCC12
InChIInChI=1S/C14H24N4/c1-10-12(11(2)17-16-10)9-15-13-6-8-18-7-4-3-5-14(13)18/h13-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyUEYRMPHJINRJID-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.74
Rot. Bonds3

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 43694485) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID43694485
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCc1n[nH]c(C)c1CNC1CCN2CCCCC12
InChIInChI=1S/C14H24N4/c1-10-12(11(2)17-16-10)9-15-13-6-8-18-7-4-3-5-14(13)18/h13-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyUEYRMPHJINRJID-UHFFFAOYSA-N
XLogP1.74
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,8aR)-N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 95284907
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752418
(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-[(6-methyl-2-pyridinyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79267082
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79862022
N-[(2-methyltetrazol-5-yl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 107042292
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113225951
N-[(3-methylfuran-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 115652214
N-but-2-ynyl-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62311545
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-methylcyclopentan-1-amine
CID 115653182
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927671
N-[(4-tert-butylphenyl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694267

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 43694485) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is Cc1n[nH]c(C)c1CNC1CCN2CCCCC12.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is UEYRMPHJINRJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10-12(11(2)17-16-10)9-15-13-6-8-18-7-4-3-5-14(13)18/h13-15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine has a molecular weight of 248.37 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 43694485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).