2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine

C17H27N3 — CID 107875188

IUPAC2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
SMILESCC(C)(C)c1ccc(N2CC3CCCC(N)C3C2)nc1
InChIInChI=1S/C17H27N3/c1-17(2,3)13-7-8-16(19-9-13)20-10-12-5-4-6-15(18)14(12)11-20/h7-9,12,14-15H,4-6,10-11,18H2,1-3H3
InChIKeyUKZVGERALOOAJR-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.94
Rot. Bonds1

About 2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine

2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine (PubChem CID 107875188) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
PubChem CID107875188
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
SMILESCC(C)(C)c1ccc(N2CC3CCCC(N)C3C2)nc1
InChIInChI=1S/C17H27N3/c1-17(2,3)13-7-8-16(19-9-13)20-10-12-5-4-6-15(18)14(12)11-20/h7-9,12,14-15H,4-6,10-11,18H2,1-3H3
InChIKeyUKZVGERALOOAJR-UHFFFAOYSA-N
XLogP2.94
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine with MolForge

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Related Compounds

(3aS,6aR)-5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042499
5-(5-tert-butyl-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 107875138
N-tert-butyl-1-(5-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654405
6-(5-tert-butyl-2-pyridinyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 107875505
2-(6-pyrrolidin-1-yl-3-pyridinyl)propan-2-amine
CID 96861611
1-(5-tert-butyl-2-pyridinyl)piperidine-3-carbaldehyde
CID 107875515
2-(3-bromo-4-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 113452088
7-(5-tert-butyl-2-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 170179138
2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
CID 107875654
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
2-[(6-methoxy-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 114937577
2-(3-bromo-5-chloro-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 114836392

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The IUPAC name of 2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine (CID 107875188) is 2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine.
What is the SMILES notation for 2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The canonical SMILES for 2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine is CC(C)(C)c1ccc(N2CC3CCCC(N)C3C2)nc1.
What is the InChIKey of 2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
The InChIKey is UKZVGERALOOAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-17(2,3)13-7-8-16(19-9-13)20-10-12-5-4-6-15(18)14(12)11-20/h7-9,12,14-15H,4-6,10-11,18H2,1-3H3.
What are the key properties of 2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine?
2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine has a molecular weight of 273.42 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-2-pyridinyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine is sourced from PubChem (CID 107875188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).